NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573718 |
2max   |
19380 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2max
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 935
_Distance_constraint_stats_list.Viol_count 2831
_Distance_constraint_stats_list.Viol_total 4352.924
_Distance_constraint_stats_list.Viol_max 1.171
_Distance_constraint_stats_list.Viol_rms 0.0713
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0207
_Distance_constraint_stats_list.Viol_average_violations_only 0.1025
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 21 ILE 0.695 0.129 12 0 "[ . 1 .]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 30 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 31 ALA 1.839 0.223 10 0 "[ . 1 .]"
1 32 GLN 1.839 0.223 10 0 "[ . 1 .]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 34 ASP 0.035 0.023 15 0 "[ . 1 .]"
1 35 ASP 0.035 0.023 15 0 "[ . 1 .]"
1 36 ALA 1.494 0.163 5 0 "[ . 1 .]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 38 ASP 2.498 0.154 5 0 "[ . 1 .]"
1 39 LEU 7.452 0.203 5 0 "[ . 1 .]"
1 40 SER 6.336 0.221 4 0 "[ . 1 .]"
1 41 ALA 9.726 0.186 2 0 "[ . 1 .]"
1 42 LYS 6.323 0.222 7 0 "[ . 1 .]"
1 43 ILE 20.786 0.216 12 0 "[ . 1 .]"
1 44 GLU 3.911 0.222 7 0 "[ . 1 .]"
1 45 SER 3.565 0.262 8 0 "[ . 1 .]"
1 46 MET 9.763 0.262 8 0 "[ . 1 .]"
1 47 ASN 0.214 0.123 11 0 "[ . 1 .]"
1 48 LEU 1.260 0.076 4 0 "[ . 1 .]"
1 49 SER 0.490 0.076 4 0 "[ . 1 .]"
1 50 ALA 2.360 0.164 13 0 "[ . 1 .]"
1 51 ARG 0.469 0.083 13 0 "[ . 1 .]"
1 52 CYS 1.892 0.180 5 0 "[ . 1 .]"
1 53 PHE 4.295 0.164 13 0 "[ . 1 .]"
1 54 ASN 5.153 0.148 13 0 "[ . 1 .]"
1 55 CYS 7.690 0.213 5 0 "[ . 1 .]"
1 56 LEU 5.629 0.206 15 0 "[ . 1 .]"
1 57 ASP 0.732 0.097 4 0 "[ . 1 .]"
1 58 LYS 3.191 0.201 5 0 "[ . 1 .]"
1 59 ILE 17.332 0.926 8 9 "[* **.**+*1-* .]"
1 60 GLY 2.984 0.120 4 0 "[ . 1 .]"
1 61 ILE 58.143 1.171 12 15 [**********-+***]
1 62 LYS 17.547 1.171 12 15 [****-******+***]
1 63 TYR 19.381 0.879 13 15 [*-**********+**]
1 64 VAL 5.986 0.169 4 0 "[ . 1 .]"
1 65 GLY 2.941 0.228 2 0 "[ . 1 .]"
1 66 GLU 3.683 0.203 5 0 "[ . 1 .]"
1 67 LEU 26.163 0.339 8 0 "[ . 1 .]"
1 68 VAL 7.936 0.276 13 0 "[ . 1 .]"
1 69 LEU 7.346 0.179 5 0 "[ . 1 .]"
1 70 MET 29.996 1.124 3 15 [**+*-**********]
1 71 SER 4.165 0.158 9 0 "[ . 1 .]"
1 72 GLU 3.187 0.151 15 0 "[ . 1 .]"
1 73 GLU 0.697 0.145 11 0 "[ . 1 .]"
1 74 GLU 3.927 0.189 2 0 "[ . 1 .]"
1 75 LEU 11.452 0.261 5 0 "[ . 1 .]"
1 76 LYS 2.117 0.166 1 0 "[ . 1 .]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 78 VAL 18.121 0.464 13 0 "[ . 1 .]"
1 79 LYS 4.900 0.260 7 0 "[ . 1 .]"
1 80 ASN 1.170 0.126 9 0 "[ . 1 .]"
1 81 MET 17.654 0.295 10 0 "[ . 1 .]"
1 82 GLY 1.497 0.126 9 0 "[ . 1 .]"
1 83 LYS 0.060 0.023 5 0 "[ . 1 .]"
1 84 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 85 SER 0.000 0.000 . 0 "[ . 1 .]"
1 86 TYR 9.124 0.188 3 0 "[ . 1 .]"
1 87 ASP 0.058 0.026 5 0 "[ . 1 .]"
1 88 GLU 1.811 0.131 11 0 "[ . 1 .]"
1 89 ILE 5.611 0.139 6 0 "[ . 1 .]"
1 90 ALA 5.775 0.177 12 0 "[ . 1 .]"
1 91 GLU 1.236 0.163 5 0 "[ . 1 .]"
1 92 LYS 2.368 0.192 5 0 "[ . 1 .]"
1 93 LEU 7.918 0.230 5 0 "[ . 1 .]"
1 94 ASN 0.502 0.090 8 0 "[ . 1 .]"
1 95 ASP 0.032 0.020 3 0 "[ . 1 .]"
1 96 LEU 3.840 0.192 5 0 "[ . 1 .]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 98 TYR 10.129 0.218 1 0 "[ . 1 .]"
1 99 PRO 1.793 0.123 3 0 "[ . 1 .]"
1 100 VAL 23.662 0.349 9 0 "[ . 1 .]"
1 101 GLY 0.474 0.060 12 0 "[ . 1 .]"
1 102 THR 3.762 0.206 14 0 "[ . 1 .]"
1 103 GLU 0.610 0.124 9 0 "[ . 1 .]"
1 104 LEU 10.354 0.435 3 0 "[ . 1 .]"
1 105 SER 6.932 0.435 3 0 "[ . 1 .]"
1 106 PRO 2.539 0.125 8 0 "[ . 1 .]"
1 107 GLU 1.140 0.113 12 0 "[ . 1 .]"
1 108 GLN 0.182 0.058 1 0 "[ . 1 .]"
1 109 ARG 1.409 0.125 8 0 "[ . 1 .]"
1 110 GLU 0.832 0.213 2 0 "[ . 1 .]"
1 111 SER 0.972 0.098 7 0 "[ . 1 .]"
1 112 LEU 7.427 0.179 5 0 "[ . 1 .]"
1 113 LYS 2.281 0.197 13 0 "[ . 1 .]"
1 114 LYS 3.560 0.229 6 0 "[ . 1 .]"
1 115 ARG 0.319 0.051 2 0 "[ . 1 .]"
1 116 LEU 10.671 0.185 2 0 "[ . 1 .]"
1 117 GLU 4.231 0.148 4 0 "[ . 1 .]"
1 118 LYS 2.726 0.147 1 0 "[ . 1 .]"
1 119 LEU 8.624 0.228 2 0 "[ . 1 .]"
1 120 GLU 1.350 0.134 2 0 "[ . 1 .]"
1 121 ASP 0.255 0.057 13 0 "[ . 1 .]"
1 122 LYS 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 VAL H 1 15 VAL QG . . 4.050 2.407 1.943 2.977 . 0 0 "[ . 1 .]" 1
2 1 21 ILE H 1 21 ILE HB . . 3.700 3.031 2.382 3.820 0.120 10 0 "[ . 1 .]" 1
3 1 21 ILE H 1 21 ILE HG12 . . 4.440 3.202 1.971 4.507 0.067 6 0 "[ . 1 .]" 1
4 1 21 ILE H 1 21 ILE QG . . 3.840 2.751 1.961 3.969 0.129 12 0 "[ . 1 .]" 1
5 1 21 ILE H 1 21 ILE HG13 . . 4.440 3.477 2.059 4.428 . 0 0 "[ . 1 .]" 1
6 1 21 ILE H 1 21 ILE MG . . 4.450 2.920 1.893 3.962 . 0 0 "[ . 1 .]" 1
7 1 29 ASP HB2 1 30 TYR H . . 5.210 3.871 2.022 4.573 . 0 0 "[ . 1 .]" 1
8 1 29 ASP HB3 1 30 TYR H . . 5.210 3.554 2.346 4.520 . 0 0 "[ . 1 .]" 1
9 1 31 ALA H 1 32 GLN HA . . 4.440 4.508 3.958 4.663 0.223 10 0 "[ . 1 .]" 1
10 1 31 ALA MB 1 32 GLN H . . 4.520 2.780 2.206 3.757 . 0 0 "[ . 1 .]" 1
11 1 33 ARG H 1 33 ARG QG . . 4.730 3.320 2.219 4.426 . 0 0 "[ . 1 .]" 1
12 1 34 ASP HA 1 35 ASP H . . 3.520 3.307 2.854 3.543 0.023 15 0 "[ . 1 .]" 1
13 1 35 ASP H 1 35 ASP QB . . 3.710 2.350 2.124 2.509 . 0 0 "[ . 1 .]" 1
14 1 35 ASP H 1 36 ALA H . . 4.840 2.868 2.530 2.998 . 0 0 "[ . 1 .]" 1
15 1 35 ASP QB 1 36 ALA H . . 4.320 3.418 2.893 3.841 . 0 0 "[ . 1 .]" 1
16 1 36 ALA H 1 36 ALA MB . . 3.450 2.242 2.184 2.277 . 0 0 "[ . 1 .]" 1
17 1 36 ALA HA 1 39 LEU MD1 . . 4.500 2.503 2.103 2.939 . 0 0 "[ . 1 .]" 1
18 1 36 ALA MB 1 39 LEU MD1 . . 3.820 2.116 1.989 2.313 . 0 0 "[ . 1 .]" 1
19 1 36 ALA MB 1 68 VAL MG1 . . 3.740 3.840 3.810 3.903 0.163 5 0 "[ . 1 .]" 1
20 1 37 LYS H 1 37 LYS QB . . 3.700 2.295 2.125 2.512 . 0 0 "[ . 1 .]" 1
21 1 37 LYS H 1 37 LYS QG . . 4.160 3.218 2.063 4.050 . 0 0 "[ . 1 .]" 1
22 1 37 LYS QB 1 38 ASP H . . 4.100 3.118 2.787 3.699 . 0 0 "[ . 1 .]" 1
23 1 38 ASP H 1 38 ASP QB . . 3.800 2.346 2.183 2.928 . 0 0 "[ . 1 .]" 1
24 1 38 ASP H 1 39 LEU H . . 4.500 2.748 2.416 2.856 . 0 0 "[ . 1 .]" 1
25 1 38 ASP H 1 39 LEU MD2 . . 5.190 4.295 4.043 4.590 . 0 0 "[ . 1 .]" 1
26 1 38 ASP HA 1 39 LEU MD2 . . 4.970 5.072 5.049 5.124 0.154 5 0 "[ . 1 .]" 1
27 1 38 ASP HA 1 40 SER H . . 4.850 3.708 3.327 4.011 . 0 0 "[ . 1 .]" 1
28 1 38 ASP HA 1 41 ALA H . . 4.460 4.302 4.118 4.453 . 0 0 "[ . 1 .]" 1
29 1 38 ASP HA 1 41 ALA MB . . 3.940 4.004 3.962 4.059 0.119 13 0 "[ . 1 .]" 1
30 1 38 ASP QB 1 39 LEU H . . 4.480 3.548 3.234 4.058 . 0 0 "[ . 1 .]" 1
31 1 38 ASP QB 1 39 LEU MD2 . . 4.930 3.658 3.279 4.851 . 0 0 "[ . 1 .]" 1
32 1 39 LEU H 1 39 LEU HB3 . . 4.140 3.557 3.514 3.664 . 0 0 "[ . 1 .]" 1
33 1 39 LEU H 1 39 LEU MD1 . . 3.990 3.706 3.648 3.919 . 0 0 "[ . 1 .]" 1
34 1 39 LEU H 1 39 LEU MD2 . . 4.350 3.272 3.189 3.681 . 0 0 "[ . 1 .]" 1
35 1 39 LEU H 1 39 LEU HG . . 3.770 2.311 2.221 2.727 . 0 0 "[ . 1 .]" 1
36 1 39 LEU H 1 40 SER H . . 4.040 2.797 2.470 2.957 . 0 0 "[ . 1 .]" 1
37 1 39 LEU H 1 41 ALA H . . 4.750 4.395 4.284 4.462 . 0 0 "[ . 1 .]" 1
38 1 39 LEU HA 1 39 LEU MD1 . . 3.790 3.780 3.744 3.849 0.059 5 0 "[ . 1 .]" 1
39 1 39 LEU HA 1 39 LEU MD2 . . 3.720 2.018 1.971 2.046 . 0 0 "[ . 1 .]" 1
40 1 39 LEU HA 1 64 VAL MG1 . . 3.700 2.895 2.753 3.140 . 0 0 "[ . 1 .]" 1
41 1 39 LEU HA 1 65 GLY H . . 4.220 3.096 2.854 3.381 . 0 0 "[ . 1 .]" 1
42 1 39 LEU HB2 1 65 GLY H . . 4.530 4.409 4.289 4.494 . 0 0 "[ . 1 .]" 1
43 1 39 LEU HB2 1 65 GLY HA2 . . 5.340 3.672 3.443 3.782 . 0 0 "[ . 1 .]" 1
44 1 39 LEU HB2 1 65 GLY QA . . 4.660 3.375 3.265 3.446 . 0 0 "[ . 1 .]" 1
45 1 39 LEU HB2 1 65 GLY HA3 . . 5.340 3.945 3.874 4.057 . 0 0 "[ . 1 .]" 1
46 1 39 LEU HB3 1 39 LEU MD1 . . 3.290 2.349 2.307 2.540 . 0 0 "[ . 1 .]" 1
47 1 39 LEU HB3 1 40 SER H . . 4.800 4.135 4.082 4.273 . 0 0 "[ . 1 .]" 1
48 1 39 LEU HB3 1 65 GLY H . . 4.780 2.928 2.824 3.021 . 0 0 "[ . 1 .]" 1
49 1 39 LEU HB3 1 65 GLY QA . . 4.980 1.982 1.942 2.020 . 0 0 "[ . 1 .]" 1
50 1 39 LEU HB3 1 66 GLU H . . 4.760 4.883 4.841 4.963 0.203 5 0 "[ . 1 .]" 1
51 1 39 LEU MD1 1 65 GLY QA . . 3.880 2.460 2.249 3.161 . 0 0 "[ . 1 .]" 1
52 1 39 LEU MD1 1 68 VAL MG2 . . 2.910 2.586 2.435 2.832 . 0 0 "[ . 1 .]" 1
53 1 39 LEU MD1 1 98 TYR HD2 . . 4.210 4.269 4.161 4.309 0.099 2 0 "[ . 1 .]" 1
54 1 39 LEU MD1 1 98 TYR HE2 . . 4.280 4.346 4.295 4.399 0.119 5 0 "[ . 1 .]" 1
55 1 39 LEU MD2 1 40 SER H . . 4.890 4.728 4.655 4.799 . 0 0 "[ . 1 .]" 1
56 1 39 LEU MD2 1 41 ALA H . . 4.750 4.652 4.370 4.728 . 0 0 "[ . 1 .]" 1
57 1 39 LEU MD2 1 64 VAL H . . 5.460 4.853 4.761 4.931 . 0 0 "[ . 1 .]" 1
58 1 39 LEU MD2 1 64 VAL HA . . 5.340 4.233 4.130 4.301 . 0 0 "[ . 1 .]" 1
59 1 39 LEU MD2 1 64 VAL HB . . 4.230 2.928 2.688 3.031 . 0 0 "[ . 1 .]" 1
60 1 39 LEU MD2 1 64 VAL MG1 . . 3.580 1.936 1.897 1.991 . 0 0 "[ . 1 .]" 1
61 1 39 LEU MD2 1 64 VAL MG2 . . 4.360 3.814 3.604 3.922 . 0 0 "[ . 1 .]" 1
62 1 39 LEU MD2 1 65 GLY H . . 4.530 3.480 3.253 3.749 . 0 0 "[ . 1 .]" 1
63 1 39 LEU MD2 1 65 GLY QA . . 4.090 2.692 2.373 3.099 . 0 0 "[ . 1 .]" 1
64 1 39 LEU MD2 1 66 GLU H . . 5.320 5.210 4.962 5.380 0.060 15 0 "[ . 1 .]" 1
65 1 39 LEU MD2 1 68 VAL MG1 . . 3.020 2.913 2.605 3.031 0.011 13 0 "[ . 1 .]" 1
66 1 39 LEU MD2 1 68 VAL MG2 . . 3.910 2.107 1.952 3.590 . 0 0 "[ . 1 .]" 1
67 1 39 LEU MD2 1 96 LEU MD1 . . 4.290 3.023 2.153 4.291 0.001 13 0 "[ . 1 .]" 1
68 1 39 LEU MD2 1 98 TYR QB . . 5.030 5.069 5.039 5.105 0.075 8 0 "[ . 1 .]" 1
69 1 39 LEU MD2 1 98 TYR HD2 . . 4.510 4.051 3.906 4.160 . 0 0 "[ . 1 .]" 1
70 1 39 LEU MD2 1 98 TYR HE2 . . 4.590 4.538 4.368 4.641 0.051 15 0 "[ . 1 .]" 1
71 1 39 LEU MD2 1 112 LEU MD1 . . 3.870 3.946 3.903 4.025 0.155 5 0 "[ . 1 .]" 1
72 1 39 LEU HG 1 40 SER H . . 4.810 4.770 4.685 4.834 0.024 5 0 "[ . 1 .]" 1
73 1 40 SER H 1 41 ALA H . . 3.390 2.785 2.720 2.880 . 0 0 "[ . 1 .]" 1
74 1 40 SER H 1 41 ALA MB . . 4.160 4.257 4.225 4.291 0.131 12 0 "[ . 1 .]" 1
75 1 40 SER H 1 119 LEU MD2 . . 3.800 3.959 3.908 4.021 0.221 4 0 "[ . 1 .]" 1
76 1 40 SER HA 1 65 GLY H . . 5.200 4.228 3.927 4.453 . 0 0 "[ . 1 .]" 1
77 1 40 SER HA 1 116 LEU MD1 . . 3.930 3.248 3.111 3.460 . 0 0 "[ . 1 .]" 1
78 1 40 SER HA 1 119 LEU MD1 . . 3.880 2.079 1.939 2.302 . 0 0 "[ . 1 .]" 1
79 1 40 SER QB 1 41 ALA H . . 4.160 3.893 3.471 3.956 . 0 0 "[ . 1 .]" 1
80 1 40 SER QB 1 116 LEU MD1 . . 3.870 4.031 4.006 4.055 0.185 2 0 "[ . 1 .]" 1
81 1 40 SER QB 1 119 LEU MD1 . . 3.740 2.768 2.020 3.596 . 0 0 "[ . 1 .]" 1
82 1 40 SER QB 1 119 LEU MD2 . . 3.810 1.843 1.803 2.019 . 0 0 "[ . 1 .]" 1
83 1 41 ALA H 1 41 ALA MB . . 2.960 2.156 2.124 2.185 . 0 0 "[ . 1 .]" 1
84 1 41 ALA H 1 42 LYS H . . 4.330 4.507 4.497 4.516 0.186 2 0 "[ . 1 .]" 1
85 1 41 ALA H 1 64 VAL H . . 3.930 3.976 3.937 4.026 0.096 2 0 "[ . 1 .]" 1
86 1 41 ALA H 1 64 VAL HB . . 4.270 3.354 3.327 3.382 . 0 0 "[ . 1 .]" 1
87 1 41 ALA H 1 64 VAL MG1 . . 4.520 4.607 4.576 4.643 0.123 5 0 "[ . 1 .]" 1
88 1 41 ALA H 1 64 VAL MG2 . . 4.370 3.641 3.581 3.730 . 0 0 "[ . 1 .]" 1
89 1 41 ALA HA 1 42 LYS H . . 2.960 2.155 2.103 2.202 . 0 0 "[ . 1 .]" 1
90 1 41 ALA HA 1 42 LYS QB . . 4.180 4.134 3.953 4.231 0.051 13 0 "[ . 1 .]" 1
91 1 41 ALA HA 1 64 VAL MG2 . . 4.230 4.274 4.243 4.311 0.081 7 0 "[ . 1 .]" 1
92 1 41 ALA MB 1 42 LYS H . . 3.370 2.652 2.574 2.752 . 0 0 "[ . 1 .]" 1
93 1 41 ALA MB 1 42 LYS QB . . 3.790 3.898 3.864 3.943 0.153 2 0 "[ . 1 .]" 1
94 1 41 ALA MB 1 45 SER QB . . 3.930 2.623 2.373 2.893 . 0 0 "[ . 1 .]" 1
95 1 41 ALA MB 1 64 VAL H . . 4.560 3.612 3.544 3.683 . 0 0 "[ . 1 .]" 1
96 1 41 ALA MB 1 64 VAL HB . . 4.030 3.004 2.876 3.073 . 0 0 "[ . 1 .]" 1
97 1 41 ALA MB 1 64 VAL MG1 . . 3.640 3.650 3.586 3.674 0.034 11 0 "[ . 1 .]" 1
98 1 41 ALA MB 1 64 VAL MG2 . . 3.230 2.190 2.151 2.227 . 0 0 "[ . 1 .]" 1
99 1 42 LYS H 1 42 LYS HB2 . . 3.570 2.240 2.075 2.422 . 0 0 "[ . 1 .]" 1
100 1 42 LYS H 1 42 LYS HB3 . . 3.570 3.287 2.471 3.547 . 0 0 "[ . 1 .]" 1
101 1 42 LYS H 1 43 ILE H . . 4.750 4.678 4.658 4.703 . 0 0 "[ . 1 .]" 1
102 1 42 LYS HA 1 43 ILE H . . 3.260 2.247 2.207 2.274 . 0 0 "[ . 1 .]" 1
103 1 42 LYS HA 1 43 ILE MD . . 5.000 5.072 5.023 5.104 0.104 13 0 "[ . 1 .]" 1
104 1 42 LYS HA 1 43 ILE QG . . 4.360 3.498 3.455 3.537 . 0 0 "[ . 1 .]" 1
105 1 42 LYS HA 1 44 GLU H . . 4.650 3.896 3.828 3.971 . 0 0 "[ . 1 .]" 1
106 1 42 LYS HA 1 63 TYR HA . . 4.430 2.415 2.258 2.572 . 0 0 "[ . 1 .]" 1
107 1 42 LYS HA 1 63 TYR QD . . 4.680 2.660 2.421 2.934 . 0 0 "[ . 1 .]" 1
108 1 42 LYS HA 1 63 TYR QE . . 4.860 4.294 3.906 4.682 . 0 0 "[ . 1 .]" 1
109 1 42 LYS HA 1 64 VAL H . . 4.140 3.718 3.532 3.869 . 0 0 "[ . 1 .]" 1
110 1 42 LYS HB2 1 44 GLU H . . 4.200 4.097 3.765 4.422 0.222 7 0 "[ . 1 .]" 1
111 1 42 LYS HB3 1 44 GLU H . . 4.200 2.755 2.484 3.445 . 0 0 "[ . 1 .]" 1
112 1 43 ILE H 1 43 ILE HB . . 3.840 2.861 2.794 2.947 . 0 0 "[ . 1 .]" 1
113 1 43 ILE H 1 43 ILE MD . . 4.270 3.533 3.504 3.554 . 0 0 "[ . 1 .]" 1
114 1 43 ILE H 1 43 ILE HG12 . . 3.840 2.568 2.509 2.618 . 0 0 "[ . 1 .]" 1
115 1 43 ILE H 1 43 ILE QG . . 3.340 1.786 1.758 1.808 . 0 0 "[ . 1 .]" 1
116 1 43 ILE H 1 43 ILE HG13 . . 3.840 1.823 1.791 1.852 . 0 0 "[ . 1 .]" 1
117 1 43 ILE H 1 43 ILE MG . . 3.530 3.643 3.625 3.660 0.130 8 0 "[ . 1 .]" 1
118 1 43 ILE H 1 44 GLU H . . 4.170 2.644 2.580 2.684 . 0 0 "[ . 1 .]" 1
119 1 43 ILE H 1 46 MET ME . . 4.340 4.443 4.418 4.459 0.119 11 0 "[ . 1 .]" 1
120 1 43 ILE H 1 62 LYS HA . . 4.650 4.484 4.128 4.668 0.018 12 0 "[ . 1 .]" 1
121 1 43 ILE H 1 63 TYR HA . . 3.870 2.580 2.498 2.634 . 0 0 "[ . 1 .]" 1
122 1 43 ILE H 1 63 TYR QD . . 4.620 4.472 4.223 4.645 0.025 8 0 "[ . 1 .]" 1
123 1 43 ILE H 1 64 VAL H . . 4.500 3.822 3.715 3.902 . 0 0 "[ . 1 .]" 1
124 1 43 ILE HA 1 43 ILE MD . . 3.890 3.922 3.901 3.947 0.057 1 0 "[ . 1 .]" 1
125 1 43 ILE HA 1 43 ILE MG . . 3.570 2.201 2.138 2.248 . 0 0 "[ . 1 .]" 1
126 1 43 ILE HA 1 45 SER H . . 4.540 3.258 3.157 3.410 . 0 0 "[ . 1 .]" 1
127 1 43 ILE HA 1 46 MET H . . 4.520 4.193 4.003 4.409 . 0 0 "[ . 1 .]" 1
128 1 43 ILE HA 1 46 MET ME . . 3.700 1.922 1.895 1.953 . 0 0 "[ . 1 .]" 1
129 1 43 ILE HA 1 46 MET HG2 . . 4.600 4.734 4.667 4.784 0.184 8 0 "[ . 1 .]" 1
130 1 43 ILE HA 1 46 MET QG . . 3.970 3.137 3.054 3.300 . 0 0 "[ . 1 .]" 1
131 1 43 ILE HA 1 46 MET HG3 . . 4.600 3.184 3.092 3.371 . 0 0 "[ . 1 .]" 1
132 1 43 ILE HA 1 64 VAL MG2 . . 3.730 2.347 2.166 2.513 . 0 0 "[ . 1 .]" 1
133 1 43 ILE HB 1 43 ILE MD . . 3.400 2.506 2.475 2.542 . 0 0 "[ . 1 .]" 1
134 1 43 ILE HB 1 53 PHE HD1 . . 5.140 2.313 2.201 2.516 . 0 0 "[ . 1 .]" 1
135 1 43 ILE HB 1 53 PHE HE1 . . 5.150 2.567 2.415 2.613 . 0 0 "[ . 1 .]" 1
136 1 43 ILE HB 1 63 TYR HA . . 4.880 4.976 4.904 5.032 0.152 3 0 "[ . 1 .]" 1
137 1 43 ILE MD 1 43 ILE MG . . 2.860 2.004 1.984 2.025 . 0 0 "[ . 1 .]" 1
138 1 43 ILE MD 1 44 GLU H . . 4.610 4.695 4.641 4.743 0.133 7 0 "[ . 1 .]" 1
139 1 43 ILE MD 1 53 PHE HD1 . . 3.750 3.768 3.706 3.786 0.036 15 0 "[ . 1 .]" 1
140 1 43 ILE MD 1 53 PHE HE1 . . 3.820 3.709 3.584 3.828 0.008 8 0 "[ . 1 .]" 1
141 1 43 ILE MD 1 56 LEU HA . . 4.060 4.217 4.180 4.266 0.206 15 0 "[ . 1 .]" 1
142 1 43 ILE MD 1 57 ASP H . . 4.560 4.607 4.577 4.657 0.097 4 0 "[ . 1 .]" 1
143 1 43 ILE MD 1 61 ILE HB . . 3.640 3.726 3.703 3.751 0.111 3 0 "[ . 1 .]" 1
144 1 43 ILE MD 1 61 ILE MG . . 2.860 1.900 1.853 1.933 . 0 0 "[ . 1 .]" 1
145 1 43 ILE MD 1 62 LYS HA . . 4.240 3.232 3.025 3.642 . 0 0 "[ . 1 .]" 1
146 1 43 ILE MD 1 63 TYR H . . 5.010 3.076 2.764 3.324 . 0 0 "[ . 1 .]" 1
147 1 43 ILE MD 1 63 TYR HA . . 5.330 3.797 3.659 3.946 . 0 0 "[ . 1 .]" 1
148 1 43 ILE MD 1 64 VAL HA . . 4.620 3.782 3.597 4.007 . 0 0 "[ . 1 .]" 1
149 1 43 ILE MD 1 66 GLU H . . 4.740 4.738 4.566 4.799 0.059 2 0 "[ . 1 .]" 1
150 1 43 ILE MD 1 67 LEU H . . 4.590 3.401 3.244 3.643 . 0 0 "[ . 1 .]" 1
151 1 43 ILE MD 1 67 LEU HA . . 4.310 4.094 3.923 4.323 0.013 5 0 "[ . 1 .]" 1
152 1 43 ILE MD 1 67 LEU MD1 . . 3.100 3.235 3.204 3.268 0.168 15 0 "[ . 1 .]" 1
153 1 43 ILE QG 1 43 ILE MG . . 3.280 2.259 2.226 2.285 . 0 0 "[ . 1 .]" 1
154 1 43 ILE QG 1 44 GLU H . . 3.760 3.610 3.585 3.653 . 0 0 "[ . 1 .]" 1
155 1 43 ILE QG 1 61 ILE MG . . 3.690 3.502 3.409 3.563 . 0 0 "[ . 1 .]" 1
156 1 43 ILE QG 1 62 LYS HA . . 5.040 3.308 3.008 3.629 . 0 0 "[ . 1 .]" 1
157 1 43 ILE QG 1 63 TYR HA . . 4.330 2.573 2.501 2.670 . 0 0 "[ . 1 .]" 1
158 1 43 ILE QG 1 64 VAL HA . . 4.960 2.905 2.706 3.056 . 0 0 "[ . 1 .]" 1
159 1 43 ILE HG12 1 44 GLU H . . 4.580 4.635 4.606 4.667 0.087 4 0 "[ . 1 .]" 1
160 1 43 ILE HG12 1 63 TYR HA . . 5.060 2.919 2.814 2.986 . 0 0 "[ . 1 .]" 1
161 1 43 ILE HG13 1 44 GLU H . . 4.580 3.766 3.734 3.820 . 0 0 "[ . 1 .]" 1
162 1 43 ILE HG13 1 63 TYR HA . . 5.060 2.861 2.771 3.020 . 0 0 "[ . 1 .]" 1
163 1 43 ILE MG 1 44 GLU H . . 4.390 3.972 3.896 4.074 . 0 0 "[ . 1 .]" 1
164 1 43 ILE MG 1 46 MET ME . . 2.640 1.876 1.804 1.968 . 0 0 "[ . 1 .]" 1
165 1 43 ILE MG 1 48 LEU MD1 . . 2.970 2.311 1.961 3.000 0.030 15 0 "[ . 1 .]" 1
166 1 43 ILE MG 1 53 PHE HD1 . . 4.030 3.474 3.277 3.610 . 0 0 "[ . 1 .]" 1
167 1 43 ILE MG 1 53 PHE HE1 . . 4.230 4.242 4.096 4.277 0.047 15 0 "[ . 1 .]" 1
168 1 43 ILE MG 1 63 TYR HA . . 4.560 4.742 4.704 4.776 0.216 12 0 "[ . 1 .]" 1
169 1 43 ILE MG 1 64 VAL HA . . 3.910 3.238 2.972 3.482 . 0 0 "[ . 1 .]" 1
170 1 43 ILE MG 1 64 VAL MG2 . . 3.110 3.045 2.799 3.149 0.039 8 0 "[ . 1 .]" 1
171 1 44 GLU H 1 44 GLU QG . . 4.150 3.602 1.943 4.039 . 0 0 "[ . 1 .]" 1
172 1 44 GLU H 1 45 SER H . . 4.130 2.988 2.865 3.104 . 0 0 "[ . 1 .]" 1
173 1 44 GLU H 1 53 PHE HE1 . . 4.260 2.315 2.130 2.590 . 0 0 "[ . 1 .]" 1
174 1 44 GLU HA 1 46 MET H . . 4.690 3.552 3.317 3.838 . 0 0 "[ . 1 .]" 1
175 1 44 GLU HA 1 53 PHE HD1 . . 4.570 3.569 3.309 3.965 . 0 0 "[ . 1 .]" 1
176 1 44 GLU HA 1 53 PHE HE1 . . 4.260 4.318 4.277 4.357 0.097 5 0 "[ . 1 .]" 1
177 1 44 GLU QB 1 45 SER H . . 4.600 3.459 3.281 4.079 . 0 0 "[ . 1 .]" 1
178 1 44 GLU QG 1 45 SER H . . 4.500 4.389 3.465 4.573 0.073 5 0 "[ . 1 .]" 1
179 1 45 SER H 1 45 SER QB . . 3.470 2.385 2.258 2.579 . 0 0 "[ . 1 .]" 1
180 1 45 SER H 1 46 MET H . . 3.710 2.436 2.336 2.561 . 0 0 "[ . 1 .]" 1
181 1 45 SER H 1 46 MET ME . . 3.700 3.927 3.888 3.962 0.262 8 0 "[ . 1 .]" 1
182 1 45 SER H 1 46 MET QG . . 4.550 3.162 3.015 3.314 . 0 0 "[ . 1 .]" 1
183 1 45 SER QB 1 46 MET H . . 4.640 3.374 3.042 3.820 . 0 0 "[ . 1 .]" 1
184 1 46 MET H 1 46 MET HB2 . . 3.940 2.580 2.362 2.710 . 0 0 "[ . 1 .]" 1
185 1 46 MET H 1 46 MET QB . . 3.370 2.528 2.328 2.645 . 0 0 "[ . 1 .]" 1
186 1 46 MET H 1 46 MET HB3 . . 3.940 3.636 3.518 3.747 . 0 0 "[ . 1 .]" 1
187 1 46 MET H 1 46 MET ME . . 3.720 3.659 3.402 3.737 0.017 3 0 "[ . 1 .]" 1
188 1 46 MET H 1 46 MET HG2 . . 3.980 3.341 3.163 3.572 . 0 0 "[ . 1 .]" 1
189 1 46 MET H 1 46 MET QG . . 3.430 2.261 1.952 2.565 . 0 0 "[ . 1 .]" 1
190 1 46 MET H 1 46 MET HG3 . . 3.980 2.302 1.971 2.629 . 0 0 "[ . 1 .]" 1
191 1 46 MET H 1 47 ASN H . . 4.440 3.027 2.512 4.563 0.123 11 0 "[ . 1 .]" 1
192 1 46 MET H 1 48 LEU MD1 . . 4.290 4.163 3.635 4.337 0.047 8 0 "[ . 1 .]" 1
193 1 46 MET H 1 48 LEU HG . . 4.570 4.269 3.628 4.607 0.037 9 0 "[ . 1 .]" 1
194 1 46 MET QB 1 48 LEU H . . 4.070 3.402 2.858 3.983 . 0 0 "[ . 1 .]" 1
195 1 46 MET HB2 1 48 LEU H . . 4.750 3.517 3.005 4.270 . 0 0 "[ . 1 .]" 1
196 1 46 MET HB3 1 48 LEU H . . 4.750 4.572 3.578 4.786 0.036 2 0 "[ . 1 .]" 1
197 1 46 MET ME 1 46 MET HG2 . . 3.320 3.063 2.580 3.303 . 0 0 "[ . 1 .]" 1
198 1 46 MET ME 1 46 MET QG . . 2.890 2.110 2.001 2.187 . 0 0 "[ . 1 .]" 1
199 1 46 MET ME 1 46 MET HG3 . . 3.320 2.157 2.085 2.219 . 0 0 "[ . 1 .]" 1
200 1 46 MET ME 1 64 VAL H . . 5.080 4.661 4.391 4.860 . 0 0 "[ . 1 .]" 1
201 1 46 MET ME 1 64 VAL HA . . 4.070 3.322 3.005 3.643 . 0 0 "[ . 1 .]" 1
202 1 46 MET ME 1 64 VAL MG2 . . 3.170 2.150 1.916 2.426 . 0 0 "[ . 1 .]" 1
203 1 46 MET ME 1 67 LEU MD1 . . 2.400 2.517 2.468 2.568 0.168 7 0 "[ . 1 .]" 1
204 1 46 MET HG2 1 64 VAL MG2 . . 3.890 3.779 3.519 3.970 0.080 3 0 "[ . 1 .]" 1
205 1 46 MET HG3 1 64 VAL MG2 . . 3.890 3.280 3.008 3.676 . 0 0 "[ . 1 .]" 1
206 1 47 ASN H 1 48 LEU H . . 4.560 3.060 2.826 3.874 . 0 0 "[ . 1 .]" 1
207 1 47 ASN HA 1 48 LEU H . . 3.510 2.756 2.425 2.879 . 0 0 "[ . 1 .]" 1
208 1 47 ASN QB 1 48 LEU H . . 4.220 3.980 3.917 4.099 . 0 0 "[ . 1 .]" 1
209 1 47 ASN HB2 1 48 LEU H . . 5.080 4.532 4.281 4.668 . 0 0 "[ . 1 .]" 1
210 1 47 ASN HB3 1 48 LEU H . . 5.080 4.430 4.280 4.671 . 0 0 "[ . 1 .]" 1
211 1 48 LEU H 1 48 LEU HB2 . . 4.100 2.384 2.202 2.648 . 0 0 "[ . 1 .]" 1
212 1 48 LEU H 1 48 LEU QB . . 3.470 2.350 2.181 2.589 . 0 0 "[ . 1 .]" 1
213 1 48 LEU H 1 48 LEU HB3 . . 4.100 3.584 3.511 3.715 . 0 0 "[ . 1 .]" 1
214 1 48 LEU H 1 48 LEU QD . . 3.620 3.188 2.913 3.359 . 0 0 "[ . 1 .]" 1
215 1 48 LEU H 1 48 LEU HG . . 3.500 2.503 2.153 2.797 . 0 0 "[ . 1 .]" 1
216 1 48 LEU H 1 49 SER H . . 5.060 4.635 4.523 4.680 . 0 0 "[ . 1 .]" 1
217 1 48 LEU HA 1 48 LEU QD . . 3.630 2.171 2.114 2.227 . 0 0 "[ . 1 .]" 1
218 1 48 LEU HA 1 48 LEU MD2 . . 3.570 2.182 2.123 2.240 . 0 0 "[ . 1 .]" 1
219 1 48 LEU HA 1 49 SER H . . 3.200 2.285 2.181 2.422 . 0 0 "[ . 1 .]" 1
220 1 48 LEU QB 1 49 SER H . . 3.690 2.579 2.301 2.860 . 0 0 "[ . 1 .]" 1
221 1 48 LEU QB 1 53 PHE H . . 4.300 3.893 3.508 4.340 0.040 7 0 "[ . 1 .]" 1
222 1 48 LEU HB2 1 49 SER H . . 4.320 3.816 3.369 4.065 . 0 0 "[ . 1 .]" 1
223 1 48 LEU HB3 1 49 SER H . . 4.320 2.623 2.343 2.923 . 0 0 "[ . 1 .]" 1
224 1 48 LEU MD2 1 49 SER H . . 3.900 3.279 2.983 3.739 . 0 0 "[ . 1 .]" 1
225 1 48 LEU MD2 1 88 GLU HB2 . . 4.660 2.721 2.138 4.346 . 0 0 "[ . 1 .]" 1
226 1 48 LEU MD2 1 88 GLU HB3 . . 4.660 3.735 2.048 4.229 . 0 0 "[ . 1 .]" 1
227 1 48 LEU MD2 1 88 GLU HG2 . . 4.230 3.558 2.130 4.106 . 0 0 "[ . 1 .]" 1
228 1 48 LEU MD2 1 88 GLU QG . . 3.670 2.269 2.116 2.599 . 0 0 "[ . 1 .]" 1
229 1 48 LEU MD2 1 88 GLU HG3 . . 4.230 2.475 2.147 3.829 . 0 0 "[ . 1 .]" 1
230 1 48 LEU MD2 1 92 LYS QE . . 3.700 3.395 2.179 3.773 0.073 8 0 "[ . 1 .]" 1
231 1 48 LEU HG 1 49 SER H . . 4.830 4.795 4.514 4.906 0.076 4 0 "[ . 1 .]" 1
232 1 49 SER H 1 49 SER QB . . 3.700 2.239 2.182 2.330 . 0 0 "[ . 1 .]" 1
233 1 49 SER H 1 52 CYS QB . . 4.380 3.698 2.955 4.444 0.064 4 0 "[ . 1 .]" 1
234 1 49 SER QB 1 52 CYS H . . 4.490 3.158 2.753 3.606 . 0 0 "[ . 1 .]" 1
235 1 50 ALA H 1 50 ALA MB . . 3.270 2.239 2.214 2.258 . 0 0 "[ . 1 .]" 1
236 1 50 ALA HA 1 53 PHE H . . 4.170 3.142 3.044 3.322 . 0 0 "[ . 1 .]" 1
237 1 50 ALA HA 1 53 PHE QB . . 3.890 2.619 2.455 2.895 . 0 0 "[ . 1 .]" 1
238 1 50 ALA MB 1 51 ARG H . . 3.710 2.829 2.618 2.964 . 0 0 "[ . 1 .]" 1
239 1 50 ALA MB 1 52 CYS H . . 4.740 4.714 4.616 4.758 0.018 12 0 "[ . 1 .]" 1
240 1 50 ALA MB 1 53 PHE H . . 4.320 4.419 4.390 4.484 0.164 13 0 "[ . 1 .]" 1
241 1 50 ALA MB 1 54 ASN H . . 4.800 4.203 4.119 4.356 . 0 0 "[ . 1 .]" 1
242 1 50 ALA MB 1 54 ASN QB . . 3.860 3.899 3.676 3.933 0.073 14 0 "[ . 1 .]" 1
243 1 50 ALA MB 1 54 ASN HD21 . . 4.300 2.633 2.336 3.329 . 0 0 "[ . 1 .]" 1
244 1 50 ALA MB 1 54 ASN HD22 . . 4.300 3.095 2.633 4.312 0.012 9 0 "[ . 1 .]" 1
245 1 51 ARG H 1 52 CYS H . . 4.360 2.770 2.655 2.903 . 0 0 "[ . 1 .]" 1
246 1 51 ARG HA 1 54 ASN H . . 4.300 3.387 3.243 3.522 . 0 0 "[ . 1 .]" 1
247 1 51 ARG HA 1 54 ASN HB2 . . 3.880 2.494 2.320 2.714 . 0 0 "[ . 1 .]" 1
248 1 51 ARG HA 1 54 ASN QB . . 3.390 2.457 2.261 2.594 . 0 0 "[ . 1 .]" 1
249 1 51 ARG HA 1 54 ASN HB3 . . 3.880 3.792 3.124 3.963 0.083 13 0 "[ . 1 .]" 1
250 1 52 CYS H 1 52 CYS QB . . 3.450 2.267 2.076 2.703 . 0 0 "[ . 1 .]" 1
251 1 52 CYS H 1 53 PHE H . . 3.650 2.831 2.664 2.966 . 0 0 "[ . 1 .]" 1
252 1 52 CYS HA 1 55 CYS H . . 4.270 3.701 3.371 3.958 . 0 0 "[ . 1 .]" 1
253 1 52 CYS HA 1 55 CYS HB2 . . 4.030 3.544 2.914 3.952 . 0 0 "[ . 1 .]" 1
254 1 52 CYS HA 1 55 CYS QB . . 3.480 3.066 2.668 3.314 . 0 0 "[ . 1 .]" 1
255 1 52 CYS HA 1 55 CYS HB3 . . 4.030 3.368 3.093 3.583 . 0 0 "[ . 1 .]" 1
256 1 52 CYS HA 1 56 LEU MD1 . . 3.730 3.841 3.775 3.910 0.180 5 0 "[ . 1 .]" 1
257 1 53 PHE H 1 53 PHE HB2 . . 3.580 2.439 2.364 2.527 . 0 0 "[ . 1 .]" 1
258 1 53 PHE H 1 53 PHE QB . . 3.060 2.227 2.196 2.256 . 0 0 "[ . 1 .]" 1
259 1 53 PHE H 1 53 PHE HB3 . . 3.580 2.580 2.518 2.652 . 0 0 "[ . 1 .]" 1
260 1 53 PHE H 1 54 ASN H . . 3.780 2.672 2.572 2.774 . 0 0 "[ . 1 .]" 1
261 1 53 PHE HA 1 56 LEU H . . 4.710 3.462 3.223 3.556 . 0 0 "[ . 1 .]" 1
262 1 53 PHE QB 1 54 ASN H . . 3.970 2.831 2.768 2.946 . 0 0 "[ . 1 .]" 1
263 1 53 PHE HD2 1 54 ASN H . . 3.930 4.007 3.982 4.043 0.113 15 0 "[ . 1 .]" 1
264 1 53 PHE HD2 1 57 ASP QB . . 5.350 3.478 3.247 3.657 . 0 0 "[ . 1 .]" 1
265 1 53 PHE HE2 1 57 ASP HB2 . . 5.500 3.241 3.033 3.478 . 0 0 "[ . 1 .]" 1
266 1 53 PHE HE2 1 57 ASP QB . . 4.630 3.173 2.965 3.403 . 0 0 "[ . 1 .]" 1
267 1 53 PHE HE2 1 57 ASP HB3 . . 5.500 4.528 4.172 4.841 . 0 0 "[ . 1 .]" 1
268 1 54 ASN H 1 54 ASN HB2 . . 3.550 2.205 2.095 2.244 . 0 0 "[ . 1 .]" 1
269 1 54 ASN H 1 54 ASN QB . . 2.880 2.180 2.069 2.220 . 0 0 "[ . 1 .]" 1
270 1 54 ASN H 1 54 ASN HB3 . . 3.550 3.447 3.161 3.524 . 0 0 "[ . 1 .]" 1
271 1 54 ASN H 1 55 CYS H . . 3.640 2.582 2.526 2.646 . 0 0 "[ . 1 .]" 1
272 1 54 ASN H 1 55 CYS HB2 . . 4.910 4.881 4.485 4.991 0.081 7 0 "[ . 1 .]" 1
273 1 54 ASN H 1 55 CYS QB . . 4.300 4.384 4.197 4.416 0.116 4 0 "[ . 1 .]" 1
274 1 54 ASN H 1 55 CYS HB3 . . 4.910 4.974 4.917 5.058 0.148 13 0 "[ . 1 .]" 1
275 1 54 ASN HA 1 57 ASP H . . 3.800 3.468 3.161 3.823 0.023 4 0 "[ . 1 .]" 1
276 1 54 ASN HB2 1 55 CYS H . . 3.940 3.209 2.871 3.712 . 0 0 "[ . 1 .]" 1
277 1 54 ASN HB3 1 55 CYS H . . 3.940 3.544 2.966 3.784 . 0 0 "[ . 1 .]" 1
278 1 55 CYS H 1 55 CYS HB2 . . 3.630 2.461 2.126 2.574 . 0 0 "[ . 1 .]" 1
279 1 55 CYS H 1 55 CYS QB . . 3.170 2.284 2.075 2.358 . 0 0 "[ . 1 .]" 1
280 1 55 CYS H 1 55 CYS HB3 . . 3.630 2.736 2.601 2.895 . 0 0 "[ . 1 .]" 1
281 1 55 CYS H 1 56 LEU H . . 3.480 2.719 2.511 2.811 . 0 0 "[ . 1 .]" 1
282 1 55 CYS HA 1 58 LYS H . . 4.070 3.808 3.450 3.988 . 0 0 "[ . 1 .]" 1
283 1 55 CYS QB 1 78 VAL MG2 . . 3.480 3.572 3.363 3.629 0.149 6 0 "[ . 1 .]" 1
284 1 55 CYS QB 1 81 MET ME . . 3.330 3.048 2.867 3.167 . 0 0 "[ . 1 .]" 1
285 1 55 CYS HB2 1 56 LEU H . . 4.240 3.559 3.498 3.630 . 0 0 "[ . 1 .]" 1
286 1 55 CYS HB2 1 56 LEU HG . . 4.430 4.405 4.178 4.478 0.048 3 0 "[ . 1 .]" 1
287 1 55 CYS HB2 1 78 VAL MG2 . . 4.060 4.062 3.958 4.158 0.098 11 0 "[ . 1 .]" 1
288 1 55 CYS HB2 1 81 MET ME . . 3.860 4.040 4.015 4.073 0.213 5 0 "[ . 1 .]" 1
289 1 55 CYS HB3 1 56 LEU H . . 4.240 2.258 2.149 2.547 . 0 0 "[ . 1 .]" 1
290 1 55 CYS HB3 1 56 LEU HG . . 4.430 2.704 2.550 2.835 . 0 0 "[ . 1 .]" 1
291 1 55 CYS HB3 1 78 VAL MG2 . . 4.060 3.980 3.551 4.133 0.073 7 0 "[ . 1 .]" 1
292 1 55 CYS HB3 1 81 MET ME . . 3.860 3.155 2.936 3.309 . 0 0 "[ . 1 .]" 1
293 1 56 LEU H 1 56 LEU QB . . 3.530 2.351 2.261 2.388 . 0 0 "[ . 1 .]" 1
294 1 56 LEU H 1 56 LEU MD1 . . 3.990 3.353 3.253 3.468 . 0 0 "[ . 1 .]" 1
295 1 56 LEU H 1 56 LEU MD2 . . 4.140 3.482 3.280 3.715 . 0 0 "[ . 1 .]" 1
296 1 56 LEU H 1 56 LEU HG . . 3.710 2.156 2.044 2.412 . 0 0 "[ . 1 .]" 1
297 1 56 LEU H 1 57 ASP H . . 3.520 2.911 2.624 3.010 . 0 0 "[ . 1 .]" 1
298 1 56 LEU H 1 58 LYS H . . 4.770 4.298 4.047 4.520 . 0 0 "[ . 1 .]" 1
299 1 56 LEU HA 1 56 LEU MD2 . . 3.580 2.160 2.123 2.199 . 0 0 "[ . 1 .]" 1
300 1 56 LEU HA 1 59 ILE MD . . 3.790 2.138 2.092 2.205 . 0 0 "[ . 1 .]" 1
301 1 56 LEU MD1 1 67 LEU MD1 . . 2.710 2.789 2.726 2.831 0.121 4 0 "[ . 1 .]" 1
302 1 56 LEU MD2 1 59 ILE MD . . 2.860 2.212 2.063 2.409 . 0 0 "[ . 1 .]" 1
303 1 56 LEU MD2 1 78 VAL MG1 . . 3.550 3.337 2.978 3.575 0.025 5 0 "[ . 1 .]" 1
304 1 56 LEU MD2 1 81 MET ME . . 2.790 2.770 2.622 2.834 0.044 10 0 "[ . 1 .]" 1
305 1 56 LEU MD2 1 89 ILE MD . . 2.870 2.166 2.004 2.320 . 0 0 "[ . 1 .]" 1
306 1 57 ASP H 1 57 ASP HB2 . . 3.470 2.418 2.380 2.441 . 0 0 "[ . 1 .]" 1
307 1 57 ASP H 1 57 ASP QB . . 2.990 2.185 2.173 2.197 . 0 0 "[ . 1 .]" 1
308 1 57 ASP H 1 57 ASP HB3 . . 3.470 2.492 2.464 2.539 . 0 0 "[ . 1 .]" 1
309 1 57 ASP H 1 58 LYS H . . 3.460 3.028 2.914 3.120 . 0 0 "[ . 1 .]" 1
310 1 57 ASP QB 1 58 LYS H . . 3.670 2.993 2.866 3.138 . 0 0 "[ . 1 .]" 1
311 1 58 LYS H 1 58 LYS HB2 . . 3.440 2.346 2.186 3.604 0.164 13 0 "[ . 1 .]" 1
312 1 58 LYS H 1 58 LYS QB . . 2.950 2.213 2.015 2.479 . 0 0 "[ . 1 .]" 1
313 1 58 LYS H 1 58 LYS HB3 . . 3.440 3.361 2.103 3.546 0.106 8 0 "[ . 1 .]" 1
314 1 58 LYS H 1 58 LYS QD . . 4.200 3.827 2.426 4.292 0.092 5 0 "[ . 1 .]" 1
315 1 58 LYS H 1 58 LYS QG . . 3.560 2.931 2.250 3.761 0.201 5 0 "[ . 1 .]" 1
316 1 58 LYS H 1 59 ILE H . . 3.710 2.458 2.381 2.549 . 0 0 "[ . 1 .]" 1
317 1 58 LYS H 1 59 ILE MD . . 4.500 4.561 4.514 4.589 0.089 13 0 "[ . 1 .]" 1
318 1 58 LYS H 1 59 ILE MG . . 4.300 4.337 4.309 4.370 0.070 5 0 "[ . 1 .]" 1
319 1 58 LYS H 1 60 GLY H . . 4.450 3.585 3.434 3.815 . 0 0 "[ . 1 .]" 1
320 1 58 LYS QB 1 59 ILE H . . 3.930 2.780 2.543 3.615 . 0 0 "[ . 1 .]" 1
321 1 58 LYS HB2 1 59 ILE H . . 4.530 3.012 2.774 4.070 . 0 0 "[ . 1 .]" 1
322 1 58 LYS HB3 1 59 ILE H . . 4.530 3.456 2.576 4.044 . 0 0 "[ . 1 .]" 1
323 1 59 ILE H 1 59 ILE HB . . 4.180 3.617 3.593 3.641 . 0 0 "[ . 1 .]" 1
324 1 59 ILE H 1 59 ILE MD . . 3.890 3.343 3.201 3.396 . 0 0 "[ . 1 .]" 1
325 1 59 ILE H 1 59 ILE QG . . 3.410 1.740 1.699 1.795 . 0 0 "[ . 1 .]" 1
326 1 59 ILE H 1 59 ILE MG . . 3.550 2.550 2.436 2.672 . 0 0 "[ . 1 .]" 1
327 1 59 ILE H 1 60 GLY H . . 3.370 2.342 2.238 2.371 . 0 0 "[ . 1 .]" 1
328 1 59 ILE H 1 60 GLY HA2 . . 5.030 4.659 4.553 4.717 . 0 0 "[ . 1 .]" 1
329 1 59 ILE H 1 60 GLY QA . . 4.320 4.318 4.236 4.360 0.040 8 0 "[ . 1 .]" 1
330 1 59 ILE H 1 60 GLY HA3 . . 5.030 5.107 5.041 5.132 0.102 8 0 "[ . 1 .]" 1
331 1 59 ILE H 1 61 ILE H . . 4.350 3.890 3.760 4.013 . 0 0 "[ . 1 .]" 1
332 1 59 ILE HA 1 59 ILE MG . . 3.110 2.201 2.171 2.243 . 0 0 "[ . 1 .]" 1
333 1 59 ILE HB 1 59 ILE MD . . 3.240 2.586 2.513 2.705 . 0 0 "[ . 1 .]" 1
334 1 59 ILE HB 1 60 GLY H . . 4.780 3.887 3.725 3.975 . 0 0 "[ . 1 .]" 1
335 1 59 ILE HB 1 61 ILE H . . 4.880 4.108 3.998 4.713 . 0 0 "[ . 1 .]" 1
336 1 59 ILE HB 1 61 ILE MD . . 3.760 2.660 2.410 2.829 . 0 0 "[ . 1 .]" 1
337 1 59 ILE MD 1 59 ILE MG . . 2.690 1.990 1.952 2.023 . 0 0 "[ . 1 .]" 1
338 1 59 ILE MD 1 60 GLY H . . 4.310 4.200 4.103 4.360 0.050 4 0 "[ . 1 .]" 1
339 1 59 ILE MD 1 61 ILE H . . 4.130 3.705 3.493 4.066 . 0 0 "[ . 1 .]" 1
340 1 59 ILE MD 1 61 ILE MD . . 2.750 2.072 1.975 2.146 . 0 0 "[ . 1 .]" 1
341 1 59 ILE MD 1 70 MET ME . . 2.450 1.995 1.957 2.071 . 0 0 "[ . 1 .]" 1
342 1 59 ILE MD 1 70 MET QG . . 4.170 4.161 4.087 4.201 0.031 11 0 "[ . 1 .]" 1
343 1 59 ILE MD 1 78 VAL H . . 4.300 4.439 4.409 4.488 0.188 5 0 "[ . 1 .]" 1
344 1 59 ILE MD 1 78 VAL HA . . 4.060 3.811 3.719 3.921 . 0 0 "[ . 1 .]" 1
345 1 59 ILE MD 1 78 VAL MG1 . . 3.040 1.879 1.852 1.899 . 0 0 "[ . 1 .]" 1
346 1 59 ILE MD 1 79 LYS H . . 4.630 4.654 4.634 4.681 0.051 14 0 "[ . 1 .]" 1
347 1 59 ILE MD 1 81 MET ME . . 3.590 3.429 3.202 3.627 0.037 12 0 "[ . 1 .]" 1
348 1 59 ILE QG 1 59 ILE MG . . 3.140 2.427 2.383 2.506 . 0 0 "[ . 1 .]" 1
349 1 59 ILE QG 1 60 GLY H . . 4.250 2.500 2.385 2.669 . 0 0 "[ . 1 .]" 1
350 1 59 ILE QG 1 61 ILE H . . 3.950 2.139 1.996 2.621 . 0 0 "[ . 1 .]" 1
351 1 59 ILE QG 1 61 ILE MD . . 3.490 2.037 1.994 2.061 . 0 0 "[ . 1 .]" 1
352 1 59 ILE QG 1 78 VAL MG1 . . 3.910 3.687 3.648 3.711 . 0 0 "[ . 1 .]" 1
353 1 59 ILE MG 1 60 GLY H . . 4.000 4.091 4.047 4.120 0.120 4 0 "[ . 1 .]" 1
354 1 59 ILE MG 1 61 ILE H . . 4.260 4.798 4.690 5.186 0.926 8 9 "[* **.**+*1-* .]" 1
355 1 59 ILE MG 1 61 ILE MD . . 3.420 3.583 3.542 3.623 0.203 8 0 "[ . 1 .]" 1
356 1 59 ILE MG 1 70 MET ME . . 3.560 3.258 3.032 3.436 . 0 0 "[ . 1 .]" 1
357 1 59 ILE MG 1 79 LYS H . . 4.480 3.507 3.307 3.756 . 0 0 "[ . 1 .]" 1
358 1 60 GLY H 1 61 ILE H . . 3.560 2.277 2.152 2.388 . 0 0 "[ . 1 .]" 1
359 1 60 GLY H 1 61 ILE HB . . 4.760 4.261 4.080 4.425 . 0 0 "[ . 1 .]" 1
360 1 60 GLY H 1 61 ILE MD . . 4.130 4.112 3.667 4.178 0.048 11 0 "[ . 1 .]" 1
361 1 61 ILE H 1 61 ILE HB . . 3.330 2.287 2.214 2.580 . 0 0 "[ . 1 .]" 1
362 1 61 ILE H 1 61 ILE MD . . 3.720 2.895 2.699 3.187 . 0 0 "[ . 1 .]" 1
363 1 61 ILE H 1 61 ILE QG . . 3.650 3.271 2.948 3.675 0.025 8 0 "[ . 1 .]" 1
364 1 61 ILE H 1 61 ILE MG . . 3.960 3.675 3.620 3.764 . 0 0 "[ . 1 .]" 1
365 1 61 ILE H 1 62 LYS H . . 4.820 4.104 3.834 4.241 . 0 0 "[ . 1 .]" 1
366 1 61 ILE HA 1 61 ILE MD . . 3.400 3.478 3.127 3.615 0.215 11 0 "[ . 1 .]" 1
367 1 61 ILE HA 1 61 ILE MG . . 3.690 2.650 2.569 2.718 . 0 0 "[ . 1 .]" 1
368 1 61 ILE HA 1 62 LYS H . . 3.280 2.226 2.156 2.382 . 0 0 "[ . 1 .]" 1
369 1 61 ILE HA 1 63 TYR H . . 4.020 3.558 3.476 3.717 . 0 0 "[ . 1 .]" 1
370 1 61 ILE HB 1 61 ILE MD . . 3.430 2.231 2.164 2.366 . 0 0 "[ . 1 .]" 1
371 1 61 ILE HB 1 62 LYS H . . 4.780 4.607 4.549 4.641 . 0 0 "[ . 1 .]" 1
372 1 61 ILE MD 1 62 LYS H . . 4.230 5.249 4.925 5.401 1.171 12 15 [****-******+***] 1
373 1 61 ILE MD 1 67 LEU HA . . 4.010 4.184 4.124 4.254 0.244 10 0 "[ . 1 .]" 1
374 1 61 ILE MD 1 70 MET ME . . 2.640 2.673 2.645 2.704 0.064 9 0 "[ . 1 .]" 1
375 1 61 ILE MD 1 70 MET HG2 . . 4.320 4.040 3.912 4.163 . 0 0 "[ . 1 .]" 1
376 1 61 ILE MD 1 70 MET QG . . 3.740 2.777 2.585 2.949 . 0 0 "[ . 1 .]" 1
377 1 61 ILE MD 1 70 MET HG3 . . 4.320 2.830 2.622 3.016 . 0 0 "[ . 1 .]" 1
378 1 61 ILE QG 1 63 TYR H . . 4.140 4.915 4.816 5.019 0.879 13 15 [*-**********+**] 1
379 1 61 ILE QG 1 70 MET ME . . 3.390 4.320 4.011 4.514 1.124 3 15 [**+*-**********] 1
380 1 61 ILE MG 1 62 LYS H . . 3.920 3.609 3.438 3.937 0.017 4 0 "[ . 1 .]" 1
381 1 61 ILE MG 1 63 TYR H . . 3.870 3.372 3.120 3.623 . 0 0 "[ . 1 .]" 1
382 1 61 ILE MG 1 67 LEU H . . 3.800 2.664 2.573 2.809 . 0 0 "[ . 1 .]" 1
383 1 61 ILE MG 1 67 LEU HA . . 3.610 2.366 2.236 2.531 . 0 0 "[ . 1 .]" 1
384 1 61 ILE MG 1 67 LEU HB2 . . 4.290 2.670 2.399 2.871 . 0 0 "[ . 1 .]" 1
385 1 61 ILE MG 1 67 LEU QB . . 3.710 2.627 2.369 2.818 . 0 0 "[ . 1 .]" 1
386 1 61 ILE MG 1 67 LEU HB3 . . 4.290 3.906 3.671 4.092 . 0 0 "[ . 1 .]" 1
387 1 62 LYS H 1 62 LYS QD . . 3.980 3.782 2.957 4.341 0.361 4 0 "[ . 1 .]" 1
388 1 62 LYS H 1 62 LYS QG . . 4.470 2.914 2.389 3.938 . 0 0 "[ . 1 .]" 1
389 1 62 LYS H 1 63 TYR H . . 3.390 2.288 2.073 2.697 . 0 0 "[ . 1 .]" 1
390 1 62 LYS HA 1 62 LYS QD . . 4.050 3.777 2.025 4.132 0.082 5 0 "[ . 1 .]" 1
391 1 62 LYS HA 1 62 LYS QG . . 3.500 2.501 2.348 3.327 . 0 0 "[ . 1 .]" 1
392 1 62 LYS QB 1 63 TYR QD . . 4.320 3.194 2.672 3.586 . 0 0 "[ . 1 .]" 1
393 1 62 LYS QB 1 63 TYR QE . . 3.660 3.223 2.478 3.586 . 0 0 "[ . 1 .]" 1
394 1 62 LYS HB2 1 63 TYR QE . . 4.210 3.569 2.507 4.257 0.047 12 0 "[ . 1 .]" 1
395 1 62 LYS HB3 1 63 TYR QE . . 4.210 3.942 2.903 4.243 0.033 11 0 "[ . 1 .]" 1
396 1 62 LYS QD 1 63 TYR H . . 5.020 5.042 4.619 5.137 0.117 14 0 "[ . 1 .]" 1
397 1 62 LYS QD 1 63 TYR QD . . 5.070 4.765 4.085 5.113 0.043 8 0 "[ . 1 .]" 1
398 1 62 LYS QD 1 63 TYR QE . . 4.870 4.062 2.737 5.016 0.146 8 0 "[ . 1 .]" 1
399 1 62 LYS QG 1 63 TYR H . . 4.360 4.340 4.055 4.398 0.038 7 0 "[ . 1 .]" 1
400 1 63 TYR H 1 63 TYR QD . . 3.980 3.036 2.884 3.187 . 0 0 "[ . 1 .]" 1
401 1 63 TYR H 1 66 GLU H . . 4.780 3.582 3.445 3.810 . 0 0 "[ . 1 .]" 1
402 1 63 TYR HA 1 63 TYR QD . . 4.450 2.857 2.673 3.005 . 0 0 "[ . 1 .]" 1
403 1 63 TYR HA 1 63 TYR QE . . 5.340 4.836 4.754 4.917 . 0 0 "[ . 1 .]" 1
404 1 63 TYR HA 1 64 VAL H . . 3.280 2.294 2.232 2.341 . 0 0 "[ . 1 .]" 1
405 1 63 TYR HA 1 64 VAL HB . . 5.310 4.829 4.764 4.940 . 0 0 "[ . 1 .]" 1
406 1 63 TYR HA 1 64 VAL MG2 . . 4.220 3.632 3.543 3.701 . 0 0 "[ . 1 .]" 1
407 1 63 TYR HA 1 116 LEU MD1 . . 5.050 5.129 5.085 5.182 0.132 15 0 "[ . 1 .]" 1
408 1 63 TYR QB 1 64 VAL H . . 3.780 2.445 2.387 2.526 . 0 0 "[ . 1 .]" 1
409 1 63 TYR QB 1 66 GLU H . . 4.570 2.505 2.304 2.926 . 0 0 "[ . 1 .]" 1
410 1 63 TYR QB 1 119 LEU MD1 . . 4.420 2.954 2.631 3.337 . 0 0 "[ . 1 .]" 1
411 1 63 TYR HB2 1 64 VAL H . . 4.590 3.544 3.441 3.605 . 0 0 "[ . 1 .]" 1
412 1 63 TYR HB2 1 65 GLY H . . 4.600 3.233 2.999 3.307 . 0 0 "[ . 1 .]" 1
413 1 63 TYR HB2 1 116 LEU MD1 . . 4.470 2.509 2.431 2.619 . 0 0 "[ . 1 .]" 1
414 1 63 TYR HB2 1 119 LEU MD1 . . 5.030 3.386 3.040 3.783 . 0 0 "[ . 1 .]" 1
415 1 63 TYR HB3 1 64 VAL H . . 4.590 2.493 2.427 2.599 . 0 0 "[ . 1 .]" 1
416 1 63 TYR HB3 1 65 GLY H . . 4.600 2.901 2.782 3.137 . 0 0 "[ . 1 .]" 1
417 1 63 TYR HB3 1 116 LEU MD1 . . 4.470 3.281 3.089 3.486 . 0 0 "[ . 1 .]" 1
418 1 63 TYR HB3 1 119 LEU MD1 . . 5.030 3.255 2.881 3.711 . 0 0 "[ . 1 .]" 1
419 1 63 TYR QD 1 66 GLU H . . 4.660 4.146 3.667 4.675 0.015 9 0 "[ . 1 .]" 1
420 1 63 TYR QD 1 116 LEU MD1 . . 3.950 3.092 2.845 3.277 . 0 0 "[ . 1 .]" 1
421 1 63 TYR QD 1 116 LEU MD2 . . 4.150 3.471 2.896 4.166 0.016 15 0 "[ . 1 .]" 1
422 1 63 TYR QD 1 119 LEU MD1 . . 4.120 2.951 2.617 3.499 . 0 0 "[ . 1 .]" 1
423 1 63 TYR QE 1 116 LEU MD1 . . 4.470 4.520 4.479 4.562 0.092 2 0 "[ . 1 .]" 1
424 1 63 TYR QE 1 119 LEU HB2 . . 5.330 3.899 3.389 4.674 . 0 0 "[ . 1 .]" 1
425 1 63 TYR QE 1 119 LEU HB3 . . 5.330 4.157 3.573 5.069 . 0 0 "[ . 1 .]" 1
426 1 63 TYR QE 1 119 LEU MD1 . . 3.980 3.237 2.730 3.993 0.013 13 0 "[ . 1 .]" 1
427 1 64 VAL H 1 64 VAL HB . . 3.540 2.536 2.506 2.622 . 0 0 "[ . 1 .]" 1
428 1 64 VAL H 1 64 VAL MG1 . . 3.740 3.773 3.763 3.782 0.042 6 0 "[ . 1 .]" 1
429 1 64 VAL H 1 64 VAL MG2 . . 3.260 2.119 2.037 2.162 . 0 0 "[ . 1 .]" 1
430 1 64 VAL H 1 65 GLY H . . 4.130 2.712 2.678 2.749 . 0 0 "[ . 1 .]" 1
431 1 64 VAL HA 1 64 VAL MG1 . . 3.570 2.440 2.409 2.462 . 0 0 "[ . 1 .]" 1
432 1 64 VAL HA 1 64 VAL MG2 . . 3.560 2.419 2.353 2.472 . 0 0 "[ . 1 .]" 1
433 1 64 VAL HA 1 67 LEU H . . 4.620 3.247 3.067 3.344 . 0 0 "[ . 1 .]" 1
434 1 64 VAL HB 1 65 GLY H . . 3.900 2.652 2.551 2.801 . 0 0 "[ . 1 .]" 1
435 1 64 VAL MG1 1 65 GLY H . . 4.020 3.580 3.500 3.716 . 0 0 "[ . 1 .]" 1
436 1 64 VAL MG1 1 65 GLY QA . . 4.030 3.794 3.713 4.040 0.010 5 0 "[ . 1 .]" 1
437 1 64 VAL MG1 1 68 VAL HB . . 3.370 3.520 3.488 3.539 0.169 4 0 "[ . 1 .]" 1
438 1 64 VAL MG2 1 65 GLY H . . 4.690 3.886 3.827 3.964 . 0 0 "[ . 1 .]" 1
439 1 65 GLY H 1 66 GLU H . . 4.340 2.870 2.768 2.933 . 0 0 "[ . 1 .]" 1
440 1 65 GLY H 1 116 LEU MD1 . . 4.540 3.369 3.228 3.495 . 0 0 "[ . 1 .]" 1
441 1 65 GLY H 1 116 LEU MD2 . . 4.850 4.658 4.225 4.935 0.085 13 0 "[ . 1 .]" 1
442 1 65 GLY QA 1 68 VAL H . . 4.110 3.522 3.438 3.728 . 0 0 "[ . 1 .]" 1
443 1 65 GLY QA 1 68 VAL HB . . 4.920 2.583 2.385 4.232 . 0 0 "[ . 1 .]" 1
444 1 65 GLY QA 1 68 VAL MG1 . . 3.520 3.019 2.000 3.221 . 0 0 "[ . 1 .]" 1
445 1 65 GLY QA 1 116 LEU MD1 . . 3.970 2.059 1.981 2.130 . 0 0 "[ . 1 .]" 1
446 1 65 GLY QA 1 116 LEU MD2 . . 4.380 3.145 2.721 3.422 . 0 0 "[ . 1 .]" 1
447 1 65 GLY QA 1 119 LEU MD1 . . 3.860 4.040 4.008 4.088 0.228 2 0 "[ . 1 .]" 1
448 1 66 GLU H 1 66 GLU QG . . 3.890 3.018 1.974 3.782 . 0 0 "[ . 1 .]" 1
449 1 66 GLU H 1 67 LEU H . . 3.690 2.761 2.614 2.881 . 0 0 "[ . 1 .]" 1
450 1 66 GLU H 1 69 LEU MD1 . . 4.050 4.111 4.075 4.153 0.103 11 0 "[ . 1 .]" 1
451 1 66 GLU H 1 116 LEU MD1 . . 4.530 3.008 2.782 3.140 . 0 0 "[ . 1 .]" 1
452 1 66 GLU H 1 116 LEU MD2 . . 4.300 2.942 2.520 3.489 . 0 0 "[ . 1 .]" 1
453 1 66 GLU QB 1 116 LEU MD1 . . 4.500 3.828 3.298 4.524 0.024 7 0 "[ . 1 .]" 1
454 1 66 GLU QG 1 69 LEU MD1 . . 4.020 3.690 3.298 4.112 0.092 9 0 "[ . 1 .]" 1
455 1 66 GLU QG 1 116 LEU MD1 . . 4.360 3.392 2.254 4.368 0.008 3 0 "[ . 1 .]" 1
456 1 66 GLU QG 1 116 LEU MD2 . . 4.030 2.085 1.887 2.243 . 0 0 "[ . 1 .]" 1
457 1 67 LEU H 1 67 LEU HB2 . . 4.050 2.453 2.376 2.512 . 0 0 "[ . 1 .]" 1
458 1 67 LEU H 1 67 LEU QB . . 3.450 2.279 2.244 2.316 . 0 0 "[ . 1 .]" 1
459 1 67 LEU H 1 67 LEU HB3 . . 4.050 2.708 2.658 2.762 . 0 0 "[ . 1 .]" 1
460 1 67 LEU H 1 68 VAL H . . 3.650 2.731 2.660 2.809 . 0 0 "[ . 1 .]" 1
461 1 67 LEU HA 1 70 MET H . . 4.430 3.104 3.029 3.184 . 0 0 "[ . 1 .]" 1
462 1 67 LEU QB 1 67 LEU MD1 . . 3.230 2.129 2.103 2.186 . 0 0 "[ . 1 .]" 1
463 1 67 LEU QB 1 68 VAL H . . 3.730 2.627 2.573 2.681 . 0 0 "[ . 1 .]" 1
464 1 67 LEU HB2 1 68 VAL H . . 4.330 3.872 3.776 3.920 . 0 0 "[ . 1 .]" 1
465 1 67 LEU HB3 1 68 VAL H . . 4.330 2.672 2.619 2.730 . 0 0 "[ . 1 .]" 1
466 1 67 LEU MD1 1 68 VAL H . . 4.360 4.384 4.309 4.422 0.062 4 0 "[ . 1 .]" 1
467 1 67 LEU MD1 1 93 LEU H . . 3.560 3.707 3.628 3.790 0.230 5 0 "[ . 1 .]" 1
468 1 67 LEU MD1 1 93 LEU HA . . 3.560 3.693 3.638 3.720 0.160 15 0 "[ . 1 .]" 1
469 1 67 LEU MD1 1 93 LEU HB2 . . 4.270 2.197 2.089 2.294 . 0 0 "[ . 1 .]" 1
470 1 67 LEU MD1 1 93 LEU HB3 . . 4.270 3.407 3.209 3.634 . 0 0 "[ . 1 .]" 1
471 1 67 LEU MD1 1 100 VAL MG1 . . 3.250 3.451 3.418 3.487 0.237 8 0 "[ . 1 .]" 1
472 1 67 LEU MD1 1 100 VAL MG2 . . 3.090 3.391 3.333 3.419 0.329 5 0 "[ . 1 .]" 1
473 1 67 LEU MD2 1 75 LEU MD1 . . 3.020 2.140 2.059 2.314 . 0 0 "[ . 1 .]" 1
474 1 67 LEU MD2 1 93 LEU MD1 . . 2.870 2.990 2.956 3.014 0.144 15 0 "[ . 1 .]" 1
475 1 67 LEU MD2 1 100 VAL H . . 4.650 4.857 4.806 4.989 0.339 8 0 "[ . 1 .]" 1
476 1 67 LEU MD2 1 100 VAL MG1 . . 3.160 2.550 2.471 2.647 . 0 0 "[ . 1 .]" 1
477 1 67 LEU HG 1 89 ILE MD . . 3.680 3.778 3.719 3.819 0.139 6 0 "[ . 1 .]" 1
478 1 68 VAL H 1 68 VAL HB . . 3.470 2.097 2.046 2.641 . 0 0 "[ . 1 .]" 1
479 1 68 VAL H 1 68 VAL MG1 . . 3.230 3.398 2.311 3.506 0.276 13 0 "[ . 1 .]" 1
480 1 68 VAL H 1 68 VAL MG2 . . 4.010 2.801 2.598 3.902 . 0 0 "[ . 1 .]" 1
481 1 68 VAL HA 1 68 VAL MG2 . . 3.490 2.171 2.114 2.411 . 0 0 "[ . 1 .]" 1
482 1 68 VAL HA 1 70 MET H . . 4.320 4.258 4.122 4.332 0.012 9 0 "[ . 1 .]" 1
483 1 68 VAL HA 1 93 LEU MD1 . . 3.260 2.674 2.422 3.287 0.027 5 0 "[ . 1 .]" 1
484 1 68 VAL MG2 1 96 LEU MD2 . . 3.360 2.802 2.294 3.421 0.061 5 0 "[ . 1 .]" 1
485 1 68 VAL MG2 1 98 TYR QB . . 4.160 4.153 4.079 4.229 0.069 5 0 "[ . 1 .]" 1
486 1 68 VAL MG2 1 98 TYR HD2 . . 3.890 2.617 2.521 2.978 . 0 0 "[ . 1 .]" 1
487 1 68 VAL MG2 1 98 TYR HE2 . . 4.280 2.059 2.030 2.088 . 0 0 "[ . 1 .]" 1
488 1 69 LEU H 1 69 LEU HB2 . . 3.910 2.238 2.174 2.337 . 0 0 "[ . 1 .]" 1
489 1 69 LEU H 1 69 LEU QB . . 3.070 2.215 2.153 2.308 . 0 0 "[ . 1 .]" 1
490 1 69 LEU H 1 69 LEU HB3 . . 3.910 3.524 3.480 3.581 . 0 0 "[ . 1 .]" 1
491 1 69 LEU H 1 69 LEU MD1 . . 3.570 3.318 3.198 3.432 . 0 0 "[ . 1 .]" 1
492 1 69 LEU H 1 69 LEU MD2 . . 3.870 3.909 3.870 3.962 0.092 7 0 "[ . 1 .]" 1
493 1 69 LEU H 1 69 LEU HG . . 3.890 2.624 2.555 2.688 . 0 0 "[ . 1 .]" 1
494 1 69 LEU H 1 70 MET H . . 3.640 2.694 2.641 2.753 . 0 0 "[ . 1 .]" 1
495 1 69 LEU HA 1 71 SER H . . 3.930 4.034 3.980 4.088 0.158 9 0 "[ . 1 .]" 1
496 1 69 LEU HA 1 109 ARG QG . . 4.950 4.296 2.592 5.018 0.068 12 0 "[ . 1 .]" 1
497 1 69 LEU QB 1 70 MET H . . 3.810 3.042 2.923 3.112 . 0 0 "[ . 1 .]" 1
498 1 69 LEU HB2 1 70 MET H . . 4.620 3.180 3.038 3.270 . 0 0 "[ . 1 .]" 1
499 1 69 LEU HB3 1 70 MET H . . 4.620 3.879 3.782 3.962 . 0 0 "[ . 1 .]" 1
500 1 69 LEU MD1 1 112 LEU HB2 . . 3.920 4.070 4.028 4.099 0.179 5 0 "[ . 1 .]" 1
501 1 69 LEU MD1 1 112 LEU HB3 . . 3.920 2.767 2.691 2.823 . 0 0 "[ . 1 .]" 1
502 1 69 LEU MD1 1 113 LYS H . . 4.020 3.237 3.036 3.551 . 0 0 "[ . 1 .]" 1
503 1 69 LEU MD1 1 113 LYS HA . . 3.560 2.583 2.354 2.821 . 0 0 "[ . 1 .]" 1
504 1 69 LEU MD1 1 116 LEU H . . 4.420 4.481 4.375 4.552 0.132 1 0 "[ . 1 .]" 1
505 1 69 LEU MD1 1 116 LEU MD1 . . 3.240 3.227 2.999 3.303 0.063 7 0 "[ . 1 .]" 1
506 1 69 LEU MD1 1 116 LEU MD2 . . 2.730 2.051 1.911 2.204 . 0 0 "[ . 1 .]" 1
507 1 69 LEU MD2 1 109 ARG HA . . 3.720 2.665 2.158 3.457 . 0 0 "[ . 1 .]" 1
508 1 69 LEU MD2 1 109 ARG QD . . 3.700 3.005 2.212 3.797 0.097 7 0 "[ . 1 .]" 1
509 1 69 LEU MD2 1 109 ARG QG . . 3.330 2.483 2.008 3.391 0.061 1 0 "[ . 1 .]" 1
510 1 69 LEU HG 1 70 MET H . . 4.880 4.799 4.731 4.849 . 0 0 "[ . 1 .]" 1
511 1 70 MET H 1 70 MET HB2 . . 3.950 2.205 2.154 2.243 . 0 0 "[ . 1 .]" 1
512 1 70 MET H 1 70 MET QB . . 3.190 2.142 2.106 2.171 . 0 0 "[ . 1 .]" 1
513 1 70 MET H 1 70 MET HB3 . . 3.950 2.911 2.838 2.993 . 0 0 "[ . 1 .]" 1
514 1 70 MET H 1 70 MET QG . . 3.520 3.693 3.651 3.726 0.206 6 0 "[ . 1 .]" 1
515 1 70 MET H 1 71 SER H . . 4.810 3.899 3.860 3.937 . 0 0 "[ . 1 .]" 1
516 1 70 MET QB 1 71 SER H . . 3.940 4.038 4.026 4.050 0.110 5 0 "[ . 1 .]" 1
517 1 70 MET QB 1 75 LEU H . . 4.290 4.274 4.124 4.344 0.054 1 0 "[ . 1 .]" 1
518 1 70 MET QB 1 75 LEU MD2 . . 3.240 3.027 2.958 3.077 . 0 0 "[ . 1 .]" 1
519 1 70 MET HB2 1 75 LEU MD2 . . 3.790 3.999 3.966 4.051 0.261 5 0 "[ . 1 .]" 1
520 1 70 MET HB3 1 75 LEU MD2 . . 3.790 3.134 3.053 3.188 . 0 0 "[ . 1 .]" 1
521 1 70 MET ME 1 70 MET HG2 . . 3.230 2.287 2.219 2.343 . 0 0 "[ . 1 .]" 1
522 1 70 MET ME 1 70 MET QG . . 2.800 2.126 2.087 2.150 . 0 0 "[ . 1 .]" 1
523 1 70 MET ME 1 70 MET HG3 . . 3.230 2.528 2.489 2.558 . 0 0 "[ . 1 .]" 1
524 1 70 MET ME 1 74 GLU HA . . 3.340 3.508 3.488 3.529 0.189 2 0 "[ . 1 .]" 1
525 1 70 MET ME 1 75 LEU H . . 3.600 3.328 3.199 3.418 . 0 0 "[ . 1 .]" 1
526 1 70 MET ME 1 75 LEU HA . . 2.990 1.884 1.867 1.903 . 0 0 "[ . 1 .]" 1
527 1 70 MET ME 1 78 VAL H . . 3.720 3.062 2.955 3.206 . 0 0 "[ . 1 .]" 1
528 1 70 MET ME 1 78 VAL HA . . 3.820 3.914 3.867 4.013 0.193 11 0 "[ . 1 .]" 1
529 1 70 MET ME 1 78 VAL MG1 . . 2.760 1.778 1.724 1.796 . 0 0 "[ . 1 .]" 1
530 1 70 MET ME 1 81 MET ME . . 2.990 3.111 3.087 3.154 0.164 2 0 "[ . 1 .]" 1
531 1 70 MET ME 1 86 TYR QE . . 4.530 4.680 4.654 4.718 0.188 3 0 "[ . 1 .]" 1
532 1 70 MET QG 1 75 LEU MD2 . . 3.740 3.107 3.031 3.255 . 0 0 "[ . 1 .]" 1
533 1 70 MET QG 1 78 VAL MG1 . . 4.260 4.235 4.124 4.268 0.008 1 0 "[ . 1 .]" 1
534 1 70 MET HG2 1 71 SER H . . 4.740 4.265 4.189 4.332 . 0 0 "[ . 1 .]" 1
535 1 70 MET HG3 1 71 SER H . . 4.740 4.362 4.272 4.452 . 0 0 "[ . 1 .]" 1
536 1 71 SER H 1 71 SER QB . . 3.100 2.516 2.272 2.613 . 0 0 "[ . 1 .]" 1
537 1 71 SER H 1 72 GLU H . . 4.700 4.709 4.688 4.723 0.023 6 0 "[ . 1 .]" 1
538 1 71 SER H 1 74 GLU H . . 4.480 4.529 4.492 4.582 0.102 8 0 "[ . 1 .]" 1
539 1 71 SER H 1 74 GLU QB . . 4.050 3.409 3.196 3.573 . 0 0 "[ . 1 .]" 1
540 1 71 SER H 1 74 GLU QG . . 3.670 3.488 3.297 3.697 0.027 11 0 "[ . 1 .]" 1
541 1 71 SER HA 1 72 GLU H . . 3.250 2.316 2.275 2.375 . 0 0 "[ . 1 .]" 1
542 1 71 SER HA 1 73 GLU H . . 4.600 4.586 4.519 4.663 0.063 14 0 "[ . 1 .]" 1
543 1 71 SER QB 1 72 GLU H . . 3.690 2.796 2.594 3.352 . 0 0 "[ . 1 .]" 1
544 1 71 SER QB 1 73 GLU H . . 4.240 3.339 3.162 3.620 . 0 0 "[ . 1 .]" 1
545 1 71 SER QB 1 74 GLU H . . 4.660 3.613 3.043 4.145 . 0 0 "[ . 1 .]" 1
546 1 71 SER QB 1 74 GLU QG . . 5.220 3.330 2.425 4.106 . 0 0 "[ . 1 .]" 1
547 1 72 GLU H 1 72 GLU HB2 . . 3.500 2.182 2.104 2.246 . 0 0 "[ . 1 .]" 1
548 1 72 GLU H 1 72 GLU HB3 . . 3.500 2.995 2.784 3.161 . 0 0 "[ . 1 .]" 1
549 1 72 GLU H 1 72 GLU QG . . 4.570 3.755 3.628 3.849 . 0 0 "[ . 1 .]" 1
550 1 72 GLU H 1 73 GLU H . . 3.840 3.065 2.998 3.140 . 0 0 "[ . 1 .]" 1
551 1 72 GLU H 1 100 VAL MG2 . . 4.360 4.425 4.395 4.449 0.089 8 0 "[ . 1 .]" 1
552 1 72 GLU HA 1 100 VAL MG1 . . 4.010 4.101 4.051 4.161 0.151 15 0 "[ . 1 .]" 1
553 1 72 GLU QG 1 73 GLU H . . 4.700 4.190 4.067 4.534 . 0 0 "[ . 1 .]" 1
554 1 72 GLU QG 1 100 VAL MG1 . . 3.610 3.655 3.634 3.707 0.097 7 0 "[ . 1 .]" 1
555 1 73 GLU H 1 73 GLU QB . . 3.090 2.342 2.083 2.552 . 0 0 "[ . 1 .]" 1
556 1 73 GLU H 1 73 GLU QG . . 3.750 2.761 2.045 3.889 0.139 14 0 "[ . 1 .]" 1
557 1 73 GLU H 1 74 GLU H . . 3.670 2.756 2.637 2.827 . 0 0 "[ . 1 .]" 1
558 1 73 GLU HA 1 73 GLU QG . . 3.180 2.644 2.306 3.325 0.145 11 0 "[ . 1 .]" 1
559 1 74 GLU H 1 74 GLU QB . . 3.540 2.463 2.392 2.513 . 0 0 "[ . 1 .]" 1
560 1 74 GLU H 1 74 GLU QG . . 3.300 2.355 2.159 2.476 . 0 0 "[ . 1 .]" 1
561 1 74 GLU H 1 75 LEU H . . 3.600 2.446 2.373 2.530 . 0 0 "[ . 1 .]" 1
562 1 74 GLU HA 1 77 GLY H . . 4.370 3.696 3.628 3.754 . 0 0 "[ . 1 .]" 1
563 1 74 GLU QG 1 75 LEU H . . 3.900 3.936 3.886 3.980 0.080 5 0 "[ . 1 .]" 1
564 1 75 LEU H 1 75 LEU QB . . 3.340 1.873 1.843 1.925 . 0 0 "[ . 1 .]" 1
565 1 75 LEU H 1 75 LEU MD1 . . 3.930 4.021 3.975 4.052 0.122 5 0 "[ . 1 .]" 1
566 1 75 LEU H 1 75 LEU MD2 . . 3.940 3.978 3.952 4.010 0.070 1 0 "[ . 1 .]" 1
567 1 75 LEU H 1 75 LEU HG . . 3.480 3.460 3.361 3.507 0.027 12 0 "[ . 1 .]" 1
568 1 75 LEU H 1 76 LYS H . . 3.640 2.986 2.941 3.076 . 0 0 "[ . 1 .]" 1
569 1 75 LEU H 1 77 GLY H . . 4.940 3.979 3.911 4.110 . 0 0 "[ . 1 .]" 1
570 1 75 LEU HA 1 75 LEU MD2 . . 3.310 2.007 1.932 2.031 . 0 0 "[ . 1 .]" 1
571 1 75 LEU HA 1 78 VAL H . . 3.840 3.961 3.932 3.991 0.151 2 0 "[ . 1 .]" 1
572 1 75 LEU HA 1 78 VAL MG1 . . 3.560 3.085 2.998 3.182 . 0 0 "[ . 1 .]" 1
573 1 75 LEU HA 1 81 MET ME . . 3.380 3.447 3.425 3.494 0.114 5 0 "[ . 1 .]" 1
574 1 75 LEU QB 1 76 LYS H . . 3.870 2.538 2.470 2.606 . 0 0 "[ . 1 .]" 1
575 1 75 LEU MD1 1 86 TYR QD . . 3.610 3.685 3.652 3.731 0.121 7 0 "[ . 1 .]" 1
576 1 75 LEU MD1 1 86 TYR QE . . 3.510 2.483 2.333 2.828 . 0 0 "[ . 1 .]" 1
577 1 75 LEU MD1 1 100 VAL MG1 . . 3.100 1.882 1.851 1.921 . 0 0 "[ . 1 .]" 1
578 1 75 LEU MD1 1 100 VAL MG2 . . 3.030 2.106 2.025 2.272 . 0 0 "[ . 1 .]" 1
579 1 75 LEU MD2 1 76 LYS H . . 4.260 4.366 4.343 4.426 0.166 1 0 "[ . 1 .]" 1
580 1 75 LEU MD2 1 81 MET ME . . 3.040 2.148 2.030 2.284 . 0 0 "[ . 1 .]" 1
581 1 75 LEU MD2 1 86 TYR QD . . 3.890 2.827 2.686 2.965 . 0 0 "[ . 1 .]" 1
582 1 75 LEU MD2 1 86 TYR QE . . 3.730 2.315 2.230 2.502 . 0 0 "[ . 1 .]" 1
583 1 76 LYS H 1 76 LYS QB . . 3.270 2.325 2.127 2.423 . 0 0 "[ . 1 .]" 1
584 1 76 LYS H 1 76 LYS QD . . 3.620 3.507 2.562 3.687 0.067 7 0 "[ . 1 .]" 1
585 1 76 LYS H 1 76 LYS QG . . 4.200 2.650 2.248 4.068 . 0 0 "[ . 1 .]" 1
586 1 76 LYS H 1 77 GLY H . . 3.590 2.821 2.759 2.960 . 0 0 "[ . 1 .]" 1
587 1 76 LYS H 1 86 TYR QE . . 4.650 3.397 3.297 3.628 . 0 0 "[ . 1 .]" 1
588 1 76 LYS HA 1 76 LYS QD . . 3.860 2.235 2.104 2.530 . 0 0 "[ . 1 .]" 1
589 1 76 LYS HA 1 76 LYS QG . . 3.930 2.866 2.337 3.044 . 0 0 "[ . 1 .]" 1
590 1 76 LYS HA 1 78 VAL H . . 4.470 4.383 4.135 4.491 0.021 3 0 "[ . 1 .]" 1
591 1 76 LYS HA 1 81 MET QG . . 4.460 3.459 2.927 4.183 . 0 0 "[ . 1 .]" 1
592 1 76 LYS HA 1 86 TYR QD . . 4.470 4.240 3.910 4.480 0.010 2 0 "[ . 1 .]" 1
593 1 76 LYS HA 1 86 TYR QE . . 4.690 3.418 3.139 3.746 . 0 0 "[ . 1 .]" 1
594 1 76 LYS QB 1 76 LYS QE . . 4.010 3.262 2.177 3.934 . 0 0 "[ . 1 .]" 1
595 1 76 LYS QB 1 77 GLY H . . 3.970 3.332 3.236 3.594 . 0 0 "[ . 1 .]" 1
596 1 76 LYS QD 1 86 TYR QD . . 5.240 3.851 3.422 4.470 . 0 0 "[ . 1 .]" 1
597 1 76 LYS QD 1 86 TYR QE . . 4.910 3.044 2.574 3.373 . 0 0 "[ . 1 .]" 1
598 1 76 LYS QE 1 86 TYR QD . . 4.680 4.224 3.333 4.712 0.032 12 0 "[ . 1 .]" 1
599 1 76 LYS QE 1 86 TYR QE . . 4.250 3.438 2.412 4.315 0.065 12 0 "[ . 1 .]" 1
600 1 77 GLY H 1 78 VAL H . . 3.560 2.583 2.391 2.680 . 0 0 "[ . 1 .]" 1
601 1 77 GLY H 1 78 VAL MG1 . . 4.310 3.639 3.494 3.773 . 0 0 "[ . 1 .]" 1
602 1 78 VAL H 1 78 VAL HB . . 3.170 3.611 3.576 3.634 0.464 13 0 "[ . 1 .]" 1
603 1 78 VAL H 1 78 VAL MG1 . . 3.120 1.872 1.760 1.936 . 0 0 "[ . 1 .]" 1
604 1 78 VAL H 1 78 VAL MG2 . . 3.720 2.383 2.226 3.046 . 0 0 "[ . 1 .]" 1
605 1 78 VAL H 1 79 LYS H . . 4.610 4.675 4.648 4.686 0.076 1 0 "[ . 1 .]" 1
606 1 78 VAL H 1 81 MET QB . . 4.250 4.213 3.577 4.358 0.108 5 0 "[ . 1 .]" 1
607 1 78 VAL H 1 81 MET ME . . 3.540 3.624 3.561 3.666 0.126 3 0 "[ . 1 .]" 1
608 1 78 VAL HA 1 78 VAL MG1 . . 3.500 2.461 2.394 2.512 . 0 0 "[ . 1 .]" 1
609 1 78 VAL HA 1 78 VAL MG2 . . 3.620 3.213 3.198 3.244 . 0 0 "[ . 1 .]" 1
610 1 78 VAL HA 1 79 LYS H . . 3.020 2.422 2.247 2.502 . 0 0 "[ . 1 .]" 1
611 1 78 VAL HA 1 79 LYS QB . . 4.170 4.054 3.904 4.274 0.104 2 0 "[ . 1 .]" 1
612 1 78 VAL MG1 1 79 LYS H . . 3.840 3.896 3.827 4.027 0.187 11 0 "[ . 1 .]" 1
613 1 78 VAL MG1 1 81 MET ME . . 3.020 2.111 2.014 2.326 . 0 0 "[ . 1 .]" 1
614 1 78 VAL MG2 1 79 LYS H . . 3.620 3.132 3.045 3.336 . 0 0 "[ . 1 .]" 1
615 1 78 VAL MG2 1 81 MET H . . 4.020 2.316 2.120 2.723 . 0 0 "[ . 1 .]" 1
616 1 78 VAL MG2 1 81 MET ME . . 3.220 2.033 1.859 2.105 . 0 0 "[ . 1 .]" 1
617 1 79 LYS H 1 79 LYS QB . . 3.350 2.282 2.197 2.670 . 0 0 "[ . 1 .]" 1
618 1 79 LYS H 1 79 LYS QG . . 4.360 3.620 2.077 4.086 . 0 0 "[ . 1 .]" 1
619 1 79 LYS HA 1 80 ASN H . . 3.570 3.411 3.245 3.471 . 0 0 "[ . 1 .]" 1
620 1 79 LYS HA 1 81 MET H . . 4.110 4.265 4.023 4.370 0.260 7 0 "[ . 1 .]" 1
621 1 79 LYS QG 1 80 ASN H . . 4.880 4.201 2.982 4.895 0.015 12 0 "[ . 1 .]" 1
622 1 80 ASN H 1 81 MET H . . 4.150 2.684 2.366 2.795 . 0 0 "[ . 1 .]" 1
623 1 80 ASN HA 1 82 GLY H . . 4.010 4.085 3.972 4.136 0.126 9 0 "[ . 1 .]" 1
624 1 80 ASN HB2 1 81 MET H . . 4.670 4.360 4.071 4.652 . 0 0 "[ . 1 .]" 1
625 1 80 ASN HB3 1 81 MET H . . 4.670 4.506 4.350 4.608 . 0 0 "[ . 1 .]" 1
626 1 81 MET H 1 81 MET HB2 . . 3.440 2.188 2.158 2.259 . 0 0 "[ . 1 .]" 1
627 1 81 MET H 1 81 MET QB . . 3.000 2.133 2.093 2.183 . 0 0 "[ . 1 .]" 1
628 1 81 MET H 1 81 MET HB3 . . 3.440 2.969 2.728 3.072 . 0 0 "[ . 1 .]" 1
629 1 81 MET H 1 81 MET HG2 . . 4.430 4.263 4.157 4.446 0.016 5 0 "[ . 1 .]" 1
630 1 81 MET H 1 81 MET QG . . 3.870 3.949 3.897 4.044 0.174 5 0 "[ . 1 .]" 1
631 1 81 MET H 1 81 MET HG3 . . 4.430 4.674 4.539 4.725 0.295 10 0 "[ . 1 .]" 1
632 1 81 MET HA 1 81 MET ME . . 3.440 3.312 2.953 3.545 0.105 15 0 "[ . 1 .]" 1
633 1 81 MET HA 1 82 GLY H . . 3.530 3.422 2.514 3.568 0.038 7 0 "[ . 1 .]" 1
634 1 81 MET HB2 1 82 GLY H . . 4.810 3.715 3.513 4.676 . 0 0 "[ . 1 .]" 1
635 1 81 MET HB3 1 82 GLY H . . 4.810 2.763 2.373 4.460 . 0 0 "[ . 1 .]" 1
636 1 81 MET ME 1 81 MET HG2 . . 3.270 2.243 2.177 2.349 . 0 0 "[ . 1 .]" 1
637 1 81 MET ME 1 81 MET QG . . 2.830 2.204 2.142 2.304 . 0 0 "[ . 1 .]" 1
638 1 81 MET ME 1 81 MET HG3 . . 3.270 3.244 3.166 3.341 0.071 11 0 "[ . 1 .]" 1
639 1 81 MET ME 1 86 TYR HA . . 3.320 3.447 3.413 3.481 0.161 12 0 "[ . 1 .]" 1
640 1 81 MET ME 1 86 TYR QD . . 3.660 2.413 2.225 2.546 . 0 0 "[ . 1 .]" 1
641 1 81 MET ME 1 86 TYR QE . . 4.210 3.399 3.147 3.572 . 0 0 "[ . 1 .]" 1
642 1 81 MET QG 1 82 GLY H . . 4.690 4.226 3.778 4.704 0.014 15 0 "[ . 1 .]" 1
643 1 81 MET QG 1 86 TYR H . . 4.470 3.942 2.873 4.227 . 0 0 "[ . 1 .]" 1
644 1 81 MET QG 1 86 TYR QD . . 4.630 2.392 2.293 2.560 . 0 0 "[ . 1 .]" 1
645 1 83 LYS HA 1 86 TYR H . . 3.930 3.804 3.597 3.953 0.023 5 0 "[ . 1 .]" 1
646 1 84 LYS H 1 84 LYS QB . . 3.820 2.365 2.212 2.497 . 0 0 "[ . 1 .]" 1
647 1 84 LYS HA 1 87 ASP H . . 4.290 3.543 3.275 4.074 . 0 0 "[ . 1 .]" 1
648 1 84 LYS QB 1 85 SER H . . 4.030 2.726 2.434 3.621 . 0 0 "[ . 1 .]" 1
649 1 85 SER H 1 86 TYR H . . 3.950 2.936 2.708 3.030 . 0 0 "[ . 1 .]" 1
650 1 86 TYR H 1 86 TYR HB2 . . 3.580 2.385 2.294 2.474 . 0 0 "[ . 1 .]" 1
651 1 86 TYR H 1 86 TYR HB3 . . 3.580 2.610 2.498 2.741 . 0 0 "[ . 1 .]" 1
652 1 86 TYR H 1 87 ASP H . . 3.690 2.779 2.686 2.884 . 0 0 "[ . 1 .]" 1
653 1 86 TYR HA 1 89 ILE H . . 4.420 3.518 3.398 3.592 . 0 0 "[ . 1 .]" 1
654 1 86 TYR HA 1 89 ILE HB . . 4.380 2.171 2.122 2.222 . 0 0 "[ . 1 .]" 1
655 1 86 TYR HA 1 89 ILE MD . . 3.660 2.396 2.236 2.491 . 0 0 "[ . 1 .]" 1
656 1 86 TYR HA 1 89 ILE MG . . 3.550 2.717 2.660 2.785 . 0 0 "[ . 1 .]" 1
657 1 86 TYR QB 1 87 ASP H . . 3.390 2.509 2.453 2.598 . 0 0 "[ . 1 .]" 1
658 1 86 TYR QB 1 89 ILE MD . . 3.900 3.908 3.801 3.947 0.047 10 0 "[ . 1 .]" 1
659 1 86 TYR QB 1 89 ILE MG . . 4.020 4.116 4.079 4.147 0.127 11 0 "[ . 1 .]" 1
660 1 86 TYR QB 1 90 ALA MB . . 4.550 4.676 4.635 4.727 0.177 12 0 "[ . 1 .]" 1
661 1 86 TYR HB2 1 87 ASP H . . 3.960 3.815 3.724 3.867 . 0 0 "[ . 1 .]" 1
662 1 86 TYR HB3 1 87 ASP H . . 3.960 2.544 2.484 2.644 . 0 0 "[ . 1 .]" 1
663 1 86 TYR QD 1 87 ASP H . . 3.800 3.651 3.390 3.826 0.026 5 0 "[ . 1 .]" 1
664 1 86 TYR QD 1 89 ILE MG . . 4.160 3.234 3.109 3.325 . 0 0 "[ . 1 .]" 1
665 1 86 TYR QD 1 90 ALA MB . . 4.320 3.583 3.369 3.805 . 0 0 "[ . 1 .]" 1
666 1 86 TYR QE 1 89 ILE MG . . 4.350 3.779 3.272 4.037 . 0 0 "[ . 1 .]" 1
667 1 86 TYR QE 1 90 ALA MB . . 4.120 3.473 2.962 4.053 . 0 0 "[ . 1 .]" 1
668 1 87 ASP H 1 87 ASP HB2 . . 3.670 2.485 2.451 2.566 . 0 0 "[ . 1 .]" 1
669 1 87 ASP H 1 87 ASP QB . . 3.150 2.255 2.190 2.439 . 0 0 "[ . 1 .]" 1
670 1 87 ASP H 1 87 ASP HB3 . . 3.670 2.666 2.376 3.630 . 0 0 "[ . 1 .]" 1
671 1 87 ASP H 1 88 GLU H . . 3.630 2.923 2.800 2.991 . 0 0 "[ . 1 .]" 1
672 1 87 ASP HA 1 90 ALA H . . 4.140 3.634 3.514 3.875 . 0 0 "[ . 1 .]" 1
673 1 87 ASP HA 1 90 ALA MB . . 3.490 2.863 2.623 3.120 . 0 0 "[ . 1 .]" 1
674 1 87 ASP QB 1 88 GLU H . . 3.570 2.563 2.501 2.604 . 0 0 "[ . 1 .]" 1
675 1 87 ASP HB2 1 88 GLU H . . 4.110 3.773 2.646 4.001 . 0 0 "[ . 1 .]" 1
676 1 87 ASP HB3 1 88 GLU H . . 4.110 2.712 2.531 3.504 . 0 0 "[ . 1 .]" 1
677 1 88 GLU H 1 88 GLU HB2 . . 3.520 3.432 2.192 3.638 0.118 6 0 "[ . 1 .]" 1
678 1 88 GLU H 1 88 GLU HB3 . . 3.520 2.653 2.473 3.485 . 0 0 "[ . 1 .]" 1
679 1 88 GLU H 1 88 GLU HG2 . . 4.160 2.460 2.070 4.291 0.131 11 0 "[ . 1 .]" 1
680 1 88 GLU H 1 88 GLU QG . . 3.630 2.319 2.045 3.761 0.131 11 0 "[ . 1 .]" 1
681 1 88 GLU H 1 88 GLU HG3 . . 4.160 3.370 2.675 4.159 . 0 0 "[ . 1 .]" 1
682 1 88 GLU H 1 89 ILE H . . 3.560 2.713 2.580 2.768 . 0 0 "[ . 1 .]" 1
683 1 88 GLU HA 1 88 GLU QG . . 3.580 3.230 2.248 3.398 . 0 0 "[ . 1 .]" 1
684 1 88 GLU HA 1 90 ALA H . . 4.530 4.480 4.404 4.557 0.027 7 0 "[ . 1 .]" 1
685 1 88 GLU HA 1 91 GLU H . . 3.270 3.169 2.987 3.320 0.050 7 0 "[ . 1 .]" 1
686 1 88 GLU QB 1 89 ILE H . . 3.630 3.490 2.576 3.655 0.025 1 0 "[ . 1 .]" 1
687 1 88 GLU HB2 1 89 ILE H . . 4.200 3.904 2.705 4.080 . 0 0 "[ . 1 .]" 1
688 1 88 GLU HB3 1 89 ILE H . . 4.200 3.998 2.619 4.219 0.019 5 0 "[ . 1 .]" 1
689 1 89 ILE H 1 89 ILE HB . . 3.360 2.043 1.999 2.071 . 0 0 "[ . 1 .]" 1
690 1 89 ILE H 1 89 ILE MD . . 3.960 3.715 3.577 3.799 . 0 0 "[ . 1 .]" 1
691 1 89 ILE H 1 89 ILE QG . . 3.620 2.843 2.612 3.211 . 0 0 "[ . 1 .]" 1
692 1 89 ILE H 1 89 ILE MG . . 3.500 3.540 3.505 3.570 0.070 8 0 "[ . 1 .]" 1
693 1 89 ILE H 1 90 ALA H . . 3.580 2.872 2.818 2.907 . 0 0 "[ . 1 .]" 1
694 1 89 ILE HA 1 89 ILE MD . . 3.740 3.728 3.698 3.757 0.017 7 0 "[ . 1 .]" 1
695 1 89 ILE HA 1 89 ILE MG . . 3.630 3.013 2.973 3.079 . 0 0 "[ . 1 .]" 1
696 1 89 ILE HA 1 92 LYS H . . 4.200 4.078 3.856 4.238 0.038 7 0 "[ . 1 .]" 1
697 1 89 ILE HA 1 92 LYS QB . . 4.200 3.656 3.276 4.216 0.016 7 0 "[ . 1 .]" 1
698 1 89 ILE HA 1 93 LEU H . . 4.740 4.041 3.837 4.310 . 0 0 "[ . 1 .]" 1
699 1 89 ILE HB 1 89 ILE MD . . 3.180 2.305 2.142 2.406 . 0 0 "[ . 1 .]" 1
700 1 89 ILE HB 1 90 ALA H . . 3.590 2.686 2.557 2.841 . 0 0 "[ . 1 .]" 1
701 1 89 ILE MD 1 90 ALA H . . 4.380 4.491 4.474 4.504 0.124 9 0 "[ . 1 .]" 1
702 1 89 ILE QG 1 89 ILE MG . . 3.180 2.432 2.284 2.502 . 0 0 "[ . 1 .]" 1
703 1 89 ILE QG 1 90 ALA H . . 4.390 4.215 4.162 4.263 . 0 0 "[ . 1 .]" 1
704 1 89 ILE MG 1 90 ALA H . . 3.630 2.245 2.152 2.344 . 0 0 "[ . 1 .]" 1
705 1 89 ILE MG 1 90 ALA MB . . 3.440 2.631 2.458 2.767 . 0 0 "[ . 1 .]" 1
706 1 90 ALA H 1 90 ALA MB . . 3.020 2.177 2.153 2.214 . 0 0 "[ . 1 .]" 1
707 1 90 ALA H 1 91 GLU H . . 3.520 2.846 2.802 2.921 . 0 0 "[ . 1 .]" 1
708 1 90 ALA HA 1 93 LEU H . . 4.220 3.551 3.450 3.689 . 0 0 "[ . 1 .]" 1
709 1 90 ALA MB 1 91 GLU H . . 3.390 2.715 2.589 2.829 . 0 0 "[ . 1 .]" 1
710 1 90 ALA MB 1 93 LEU QB . . 3.930 3.973 3.862 4.048 0.118 7 0 "[ . 1 .]" 1
711 1 90 ALA MB 1 94 ASN QB . . 4.450 4.327 4.140 4.535 0.085 4 0 "[ . 1 .]" 1
712 1 90 ALA MB 1 100 VAL HB . . 3.970 4.049 3.911 4.125 0.155 8 0 "[ . 1 .]" 1
713 1 90 ALA MB 1 100 VAL MG1 . . 3.090 2.163 2.098 2.239 . 0 0 "[ . 1 .]" 1
714 1 91 GLU H 1 91 GLU QG . . 4.120 3.710 2.510 4.072 . 0 0 "[ . 1 .]" 1
715 1 91 GLU H 1 92 LYS H . . 3.440 2.872 2.702 3.186 . 0 0 "[ . 1 .]" 1
716 1 91 GLU HA 1 93 LEU H . . 4.530 4.605 4.482 4.693 0.163 5 0 "[ . 1 .]" 1
717 1 92 LYS H 1 92 LYS QB . . 3.540 2.359 2.100 2.498 . 0 0 "[ . 1 .]" 1
718 1 92 LYS H 1 92 LYS QD . . 3.740 3.381 2.305 3.790 0.050 15 0 "[ . 1 .]" 1
719 1 92 LYS H 1 92 LYS HG2 . . 4.130 3.047 2.447 4.134 0.004 9 0 "[ . 1 .]" 1
720 1 92 LYS H 1 92 LYS QG . . 3.430 2.807 2.420 3.590 0.160 12 0 "[ . 1 .]" 1
721 1 92 LYS H 1 92 LYS HG3 . . 4.130 3.811 2.819 4.089 . 0 0 "[ . 1 .]" 1
722 1 92 LYS H 1 93 LEU H . . 3.560 2.659 2.333 2.782 . 0 0 "[ . 1 .]" 1
723 1 92 LYS HA 1 95 ASP H . . 3.820 2.884 2.480 3.112 . 0 0 "[ . 1 .]" 1
724 1 92 LYS HA 1 96 LEU H . . 4.670 4.758 4.694 4.862 0.192 5 0 "[ . 1 .]" 1
725 1 92 LYS QB 1 93 LEU H . . 3.900 2.942 2.730 3.157 . 0 0 "[ . 1 .]" 1
726 1 93 LEU H 1 93 LEU HB2 . . 3.820 2.229 2.102 2.329 . 0 0 "[ . 1 .]" 1
727 1 93 LEU H 1 93 LEU QB . . 3.010 2.133 2.055 2.194 . 0 0 "[ . 1 .]" 1
728 1 93 LEU H 1 93 LEU HB3 . . 3.820 2.738 2.663 2.907 . 0 0 "[ . 1 .]" 1
729 1 93 LEU H 1 94 ASN H . . 3.610 2.779 2.628 2.882 . 0 0 "[ . 1 .]" 1
730 1 93 LEU HA 1 96 LEU H . . 4.190 3.705 3.511 3.936 . 0 0 "[ . 1 .]" 1
731 1 93 LEU QB 1 94 ASN H . . 3.580 2.643 2.520 2.820 . 0 0 "[ . 1 .]" 1
732 1 93 LEU HB2 1 94 ASN H . . 4.230 3.760 3.498 3.940 . 0 0 "[ . 1 .]" 1
733 1 93 LEU HB3 1 94 ASN H . . 4.230 2.700 2.582 2.888 . 0 0 "[ . 1 .]" 1
734 1 93 LEU MD1 1 94 ASN H . . 4.490 3.833 3.597 4.050 . 0 0 "[ . 1 .]" 1
735 1 93 LEU MD1 1 98 TYR HD2 . . 4.100 3.089 2.593 3.456 . 0 0 "[ . 1 .]" 1
736 1 93 LEU MD1 1 98 TYR HE2 . . 4.130 2.987 2.123 3.335 . 0 0 "[ . 1 .]" 1
737 1 94 ASN H 1 94 ASN HB2 . . 3.450 2.489 2.065 3.489 0.039 3 0 "[ . 1 .]" 1
738 1 94 ASN H 1 94 ASN QB . . 3.010 2.213 2.048 2.423 . 0 0 "[ . 1 .]" 1
739 1 94 ASN H 1 94 ASN HB3 . . 3.450 2.743 2.232 3.540 0.090 8 0 "[ . 1 .]" 1
740 1 94 ASN H 1 95 ASP H . . 3.470 2.896 2.790 2.990 . 0 0 "[ . 1 .]" 1
741 1 94 ASN HA 1 94 ASN HD21 . . 4.740 4.070 2.366 4.513 . 0 0 "[ . 1 .]" 1
742 1 94 ASN HA 1 94 ASN QD . . 4.070 3.762 2.341 4.098 0.028 1 0 "[ . 1 .]" 1
743 1 94 ASN HA 1 94 ASN HD22 . . 4.740 4.517 3.713 4.789 0.049 3 0 "[ . 1 .]" 1
744 1 94 ASN HA 1 96 LEU H . . 4.540 4.016 3.715 4.232 . 0 0 "[ . 1 .]" 1
745 1 94 ASN QB 1 95 ASP H . . 3.510 2.786 2.636 3.530 0.020 3 0 "[ . 1 .]" 1
746 1 95 ASP H 1 95 ASP HB2 . . 3.590 2.343 2.236 2.411 . 0 0 "[ . 1 .]" 1
747 1 95 ASP H 1 95 ASP QB . . 2.940 2.203 2.119 2.377 . 0 0 "[ . 1 .]" 1
748 1 95 ASP H 1 95 ASP HB3 . . 3.590 2.711 2.588 3.602 0.012 5 0 "[ . 1 .]" 1
749 1 95 ASP H 1 96 LEU H . . 3.530 2.944 2.863 2.975 . 0 0 "[ . 1 .]" 1
750 1 95 ASP H 1 97 GLY H . . 4.830 4.359 4.244 4.479 . 0 0 "[ . 1 .]" 1
751 1 95 ASP HA 1 97 GLY H . . 4.740 3.792 3.590 3.945 . 0 0 "[ . 1 .]" 1
752 1 95 ASP QB 1 96 LEU H . . 3.710 3.008 2.900 3.191 . 0 0 "[ . 1 .]" 1
753 1 95 ASP HB2 1 96 LEU H . . 4.280 4.076 3.053 4.235 . 0 0 "[ . 1 .]" 1
754 1 95 ASP HB3 1 96 LEU H . . 4.280 3.140 2.966 3.759 . 0 0 "[ . 1 .]" 1
755 1 96 LEU H 1 96 LEU HB2 . . 3.740 2.322 2.250 2.416 . 0 0 "[ . 1 .]" 1
756 1 96 LEU H 1 96 LEU QB . . 2.960 2.233 2.107 2.382 . 0 0 "[ . 1 .]" 1
757 1 96 LEU H 1 96 LEU HB3 . . 3.740 3.032 2.541 3.624 . 0 0 "[ . 1 .]" 1
758 1 96 LEU H 1 96 LEU MD1 . . 3.760 3.210 2.200 3.897 0.137 5 0 "[ . 1 .]" 1
759 1 96 LEU H 1 97 GLY H . . 3.700 2.744 2.582 2.921 . 0 0 "[ . 1 .]" 1
760 1 96 LEU H 1 98 TYR H . . 4.260 4.099 3.880 4.257 . 0 0 "[ . 1 .]" 1
761 1 96 LEU QB 1 96 LEU MD1 . . 2.820 2.218 2.147 2.281 . 0 0 "[ . 1 .]" 1
762 1 96 LEU QB 1 97 GLY H . . 3.970 2.720 2.497 3.054 . 0 0 "[ . 1 .]" 1
763 1 96 LEU QB 1 98 TYR H . . 3.960 2.582 2.199 3.102 . 0 0 "[ . 1 .]" 1
764 1 96 LEU QB 1 98 TYR HD2 . . 4.460 4.187 3.847 4.494 0.034 13 0 "[ . 1 .]" 1
765 1 96 LEU HB2 1 97 GLY H . . 4.620 3.512 2.966 3.864 . 0 0 "[ . 1 .]" 1
766 1 96 LEU HB2 1 98 TYR H . . 4.760 3.688 3.144 4.169 . 0 0 "[ . 1 .]" 1
767 1 96 LEU HB2 1 98 TYR HD2 . . 5.120 5.025 4.665 5.231 0.111 6 0 "[ . 1 .]" 1
768 1 96 LEU HB3 1 97 GLY H . . 4.620 3.047 2.534 3.818 . 0 0 "[ . 1 .]" 1
769 1 96 LEU HB3 1 98 TYR H . . 4.760 2.905 2.210 3.963 . 0 0 "[ . 1 .]" 1
770 1 96 LEU HB3 1 98 TYR HD2 . . 5.120 4.592 4.008 5.199 0.079 13 0 "[ . 1 .]" 1
771 1 96 LEU MD1 1 98 TYR H . . 4.810 4.852 4.824 4.879 0.069 6 0 "[ . 1 .]" 1
772 1 97 GLY H 1 98 TYR H . . 3.380 2.323 2.193 2.532 . 0 0 "[ . 1 .]" 1
773 1 98 TYR H 1 98 TYR HD2 . . 3.830 3.998 3.905 4.048 0.218 1 0 "[ . 1 .]" 1
774 1 98 TYR H 1 99 PRO HD2 . . 4.600 4.700 4.663 4.723 0.123 3 0 "[ . 1 .]" 1
775 1 98 TYR H 1 99 PRO QD . . 4.030 4.037 3.946 4.122 0.092 6 0 "[ . 1 .]" 1
776 1 98 TYR H 1 99 PRO HD3 . . 4.600 4.399 4.260 4.571 . 0 0 "[ . 1 .]" 1
777 1 98 TYR HD1 1 102 THR MG . . 4.050 3.107 2.274 4.050 0.000 12 0 "[ . 1 .]" 1
778 1 98 TYR HE1 1 100 VAL MG2 . . 4.030 4.122 4.080 4.186 0.156 8 0 "[ . 1 .]" 1
779 1 99 PRO HA 1 100 VAL H . . 3.080 2.240 2.202 2.306 . 0 0 "[ . 1 .]" 1
780 1 99 PRO QB 1 100 VAL H . . 4.240 3.545 3.423 3.694 . 0 0 "[ . 1 .]" 1
781 1 99 PRO QD 1 102 THR MG . . 4.480 3.528 2.958 4.046 . 0 0 "[ . 1 .]" 1
782 1 100 VAL H 1 100 VAL HB . . 3.360 2.169 1.933 2.282 . 0 0 "[ . 1 .]" 1
783 1 100 VAL H 1 100 VAL MG1 . . 3.220 2.645 2.427 3.255 0.035 3 0 "[ . 1 .]" 1
784 1 100 VAL H 1 100 VAL MG2 . . 3.320 3.555 3.093 3.669 0.349 9 0 "[ . 1 .]" 1
785 1 100 VAL H 1 101 GLY H . . 4.530 4.560 4.511 4.590 0.060 12 0 "[ . 1 .]" 1
786 1 100 VAL HA 1 100 VAL MG1 . . 3.080 3.209 3.071 3.251 0.171 8 0 "[ . 1 .]" 1
787 1 100 VAL HA 1 102 THR H . . 4.790 3.618 3.217 3.983 . 0 0 "[ . 1 .]" 1
788 1 100 VAL MG2 1 101 GLY H . . 3.790 2.534 2.243 3.187 . 0 0 "[ . 1 .]" 1
789 1 100 VAL MG2 1 102 THR H . . 4.460 4.535 4.495 4.564 0.104 13 0 "[ . 1 .]" 1
790 1 101 GLY H 1 102 THR H . . 3.450 2.586 2.050 2.822 . 0 0 "[ . 1 .]" 1
791 1 102 THR H 1 102 THR HB . . 3.300 2.662 2.415 3.320 0.020 3 0 "[ . 1 .]" 1
792 1 102 THR H 1 102 THR MG . . 3.980 2.949 2.262 3.933 . 0 0 "[ . 1 .]" 1
793 1 102 THR H 1 104 LEU MD1 . . 4.660 4.758 4.689 4.866 0.206 14 0 "[ . 1 .]" 1
794 1 102 THR HA 1 103 GLU H . . 3.320 2.327 2.141 2.443 . 0 0 "[ . 1 .]" 1
795 1 102 THR HB 1 103 GLU H . . 4.640 4.126 3.771 4.547 . 0 0 "[ . 1 .]" 1
796 1 102 THR HB 1 104 LEU MD1 . . 4.630 3.787 3.569 3.984 . 0 0 "[ . 1 .]" 1
797 1 102 THR MG 1 103 GLU H . . 4.020 3.599 3.306 4.038 0.018 14 0 "[ . 1 .]" 1
798 1 102 THR MG 1 104 LEU MD1 . . 3.310 1.928 1.875 2.079 . 0 0 "[ . 1 .]" 1
799 1 102 THR MG 1 104 LEU MD2 . . 3.390 3.313 2.013 3.447 0.057 3 0 "[ . 1 .]" 1
800 1 102 THR MG 1 104 LEU HG . . 4.050 4.039 3.580 4.160 0.110 15 0 "[ . 1 .]" 1
801 1 103 GLU H 1 103 GLU HB2 . . 4.090 3.402 2.446 3.968 . 0 0 "[ . 1 .]" 1
802 1 103 GLU H 1 103 GLU QB . . 3.590 2.817 2.217 3.350 . 0 0 "[ . 1 .]" 1
803 1 103 GLU H 1 103 GLU HB3 . . 4.090 3.183 2.538 3.874 . 0 0 "[ . 1 .]" 1
804 1 103 GLU H 1 103 GLU HG2 . . 5.050 2.984 1.974 4.514 . 0 0 "[ . 1 .]" 1
805 1 103 GLU H 1 103 GLU QG . . 4.390 2.735 1.960 4.128 . 0 0 "[ . 1 .]" 1
806 1 103 GLU H 1 103 GLU HG3 . . 5.050 3.597 2.863 4.789 . 0 0 "[ . 1 .]" 1
807 1 103 GLU HA 1 104 LEU H . . 2.960 2.778 2.054 3.063 0.103 5 0 "[ . 1 .]" 1
808 1 103 GLU HA 1 105 SER H . . 4.170 3.791 3.347 4.294 0.124 9 0 "[ . 1 .]" 1
809 1 103 GLU HA 1 106 PRO QD . . 4.550 3.391 2.692 4.571 0.021 11 0 "[ . 1 .]" 1
810 1 103 GLU QB 1 104 LEU H . . 4.290 3.934 3.310 4.103 . 0 0 "[ . 1 .]" 1
811 1 104 LEU H 1 104 LEU HB2 . . 4.130 3.447 2.725 3.693 . 0 0 "[ . 1 .]" 1
812 1 104 LEU H 1 104 LEU QB . . 3.460 2.693 2.517 2.929 . 0 0 "[ . 1 .]" 1
813 1 104 LEU H 1 104 LEU HB3 . . 4.130 2.952 2.575 3.796 . 0 0 "[ . 1 .]" 1
814 1 104 LEU H 1 104 LEU MD1 . . 3.990 1.787 1.619 2.360 . 0 0 "[ . 1 .]" 1
815 1 104 LEU H 1 104 LEU MD2 . . 4.140 2.824 1.867 4.205 0.065 9 0 "[ . 1 .]" 1
816 1 104 LEU H 1 104 LEU HG . . 3.670 3.696 3.560 3.816 0.146 1 0 "[ . 1 .]" 1
817 1 104 LEU HA 1 104 LEU MD2 . . 3.620 3.672 3.648 3.718 0.098 14 0 "[ . 1 .]" 1
818 1 104 LEU HA 1 105 SER H . . 3.160 3.482 3.274 3.595 0.435 3 0 "[ . 1 .]" 1
819 1 104 LEU QB 1 105 SER H . . 3.700 3.293 1.916 3.823 0.123 11 0 "[ . 1 .]" 1
820 1 104 LEU HB2 1 105 SER H . . 4.290 3.504 1.930 4.211 . 0 0 "[ . 1 .]" 1
821 1 104 LEU HB3 1 105 SER H . . 4.290 4.142 3.234 4.389 0.099 10 0 "[ . 1 .]" 1
822 1 104 LEU MD2 1 105 SER H . . 3.880 2.408 1.746 4.008 0.128 12 0 "[ . 1 .]" 1
823 1 105 SER H 1 105 SER QB . . 3.900 3.131 2.846 3.421 . 0 0 "[ . 1 .]" 1
824 1 105 SER H 1 106 PRO QB . . 3.640 3.693 3.659 3.726 0.086 11 0 "[ . 1 .]" 1
825 1 106 PRO HA 1 109 ARG H . . 4.640 4.234 3.836 4.579 . 0 0 "[ . 1 .]" 1
826 1 106 PRO QB 1 107 GLU H . . 3.950 4.002 3.903 4.063 0.113 12 0 "[ . 1 .]" 1
827 1 106 PRO QB 1 109 ARG H . . 3.760 3.781 3.589 3.885 0.125 8 0 "[ . 1 .]" 1
828 1 106 PRO QB 1 109 ARG QB . . 3.470 3.047 2.608 3.471 0.001 14 0 "[ . 1 .]" 1
829 1 106 PRO QD 1 107 GLU H . . 4.450 3.361 2.913 4.067 . 0 0 "[ . 1 .]" 1
830 1 106 PRO QD 1 107 GLU QG . . 4.400 3.561 3.000 4.424 0.024 14 0 "[ . 1 .]" 1
831 1 107 GLU H 1 107 GLU HB2 . . 3.810 2.553 2.446 2.644 . 0 0 "[ . 1 .]" 1
832 1 107 GLU H 1 107 GLU HB3 . . 3.810 3.607 3.591 3.630 . 0 0 "[ . 1 .]" 1
833 1 107 GLU H 1 107 GLU QG . . 4.360 2.087 1.944 2.232 . 0 0 "[ . 1 .]" 1
834 1 107 GLU H 1 108 GLN H . . 4.240 2.973 2.864 3.109 . 0 0 "[ . 1 .]" 1
835 1 107 GLU HA 1 110 GLU H . . 3.990 3.881 3.565 4.061 0.071 1 0 "[ . 1 .]" 1
836 1 108 GLN H 1 108 GLN HB2 . . 3.970 2.856 2.396 3.610 . 0 0 "[ . 1 .]" 1
837 1 108 GLN H 1 108 GLN QB . . 3.400 2.454 2.363 2.588 . 0 0 "[ . 1 .]" 1
838 1 108 GLN H 1 108 GLN HB3 . . 3.970 3.247 2.472 3.625 . 0 0 "[ . 1 .]" 1
839 1 108 GLN H 1 108 GLN HG2 . . 3.740 2.830 2.199 3.774 0.034 3 0 "[ . 1 .]" 1
840 1 108 GLN H 1 108 GLN QG . . 3.080 2.425 2.173 3.095 0.015 3 0 "[ . 1 .]" 1
841 1 108 GLN H 1 108 GLN HG3 . . 3.740 3.211 2.281 3.740 0.000 15 0 "[ . 1 .]" 1
842 1 108 GLN H 1 109 ARG H . . 3.540 2.822 2.649 2.932 . 0 0 "[ . 1 .]" 1
843 1 108 GLN HA 1 108 GLN HG2 . . 4.190 3.324 2.406 4.236 0.046 2 0 "[ . 1 .]" 1
844 1 108 GLN HA 1 108 GLN HG3 . . 4.190 3.522 2.498 4.248 0.058 1 0 "[ . 1 .]" 1
845 1 108 GLN QG 1 109 ARG H . . 4.850 3.924 2.625 4.714 . 0 0 "[ . 1 .]" 1
846 1 109 ARG H 1 109 ARG QB . . 3.260 2.232 2.087 2.427 . 0 0 "[ . 1 .]" 1
847 1 109 ARG H 1 109 ARG QD . . 4.540 3.993 2.656 4.653 0.113 6 0 "[ . 1 .]" 1
848 1 109 ARG H 1 110 GLU H . . 3.640 2.873 2.714 3.092 . 0 0 "[ . 1 .]" 1
849 1 109 ARG HA 1 109 ARG QD . . 4.690 3.896 3.399 4.678 . 0 0 "[ . 1 .]" 1
850 1 109 ARG HA 1 111 SER H . . 4.840 4.369 3.780 4.791 . 0 0 "[ . 1 .]" 1
851 1 109 ARG HA 1 112 LEU H . . 4.140 3.324 2.785 3.826 . 0 0 "[ . 1 .]" 1
852 1 109 ARG QG 1 110 GLU H . . 5.040 3.389 2.389 4.661 . 0 0 "[ . 1 .]" 1
853 1 110 GLU H 1 110 GLU QB . . 3.130 2.404 2.087 2.613 . 0 0 "[ . 1 .]" 1
854 1 110 GLU H 1 110 GLU QG . . 3.670 2.615 2.092 3.883 0.213 2 0 "[ . 1 .]" 1
855 1 110 GLU H 1 111 SER H . . 3.460 2.772 2.669 2.972 . 0 0 "[ . 1 .]" 1
856 1 110 GLU QB 1 111 SER H . . 3.560 2.769 2.434 3.599 0.039 3 0 "[ . 1 .]" 1
857 1 110 GLU QG 1 111 SER H . . 4.360 3.881 2.332 4.385 0.025 15 0 "[ . 1 .]" 1
858 1 111 SER H 1 111 SER HB2 . . 3.500 2.837 2.477 3.598 0.098 7 0 "[ . 1 .]" 1
859 1 111 SER H 1 111 SER QB . . 3.020 2.483 2.261 2.759 . 0 0 "[ . 1 .]" 1
860 1 111 SER H 1 111 SER HB3 . . 3.500 3.082 2.489 3.590 0.090 4 0 "[ . 1 .]" 1
861 1 111 SER HA 1 114 LYS H . . 4.110 3.794 3.298 4.128 0.018 13 0 "[ . 1 .]" 1
862 1 111 SER QB 1 112 LEU H . . 3.850 2.774 2.411 3.506 . 0 0 "[ . 1 .]" 1
863 1 112 LEU H 1 112 LEU HB2 . . 3.430 2.301 2.229 2.355 . 0 0 "[ . 1 .]" 1
864 1 112 LEU H 1 112 LEU QB . . 3.000 2.147 2.100 2.180 . 0 0 "[ . 1 .]" 1
865 1 112 LEU H 1 112 LEU HB3 . . 3.430 2.572 2.512 2.612 . 0 0 "[ . 1 .]" 1
866 1 112 LEU H 1 112 LEU MD1 . . 3.840 3.939 3.905 3.961 0.121 12 0 "[ . 1 .]" 1
867 1 112 LEU H 1 112 LEU HG . . 4.330 4.451 4.435 4.467 0.137 7 0 "[ . 1 .]" 1
868 1 112 LEU H 1 113 LYS H . . 3.460 3.005 2.879 3.111 . 0 0 "[ . 1 .]" 1
869 1 112 LEU HA 1 112 LEU MD1 . . 3.340 2.130 2.088 2.212 . 0 0 "[ . 1 .]" 1
870 1 112 LEU HA 1 115 ARG H . . 3.780 3.528 3.429 3.703 . 0 0 "[ . 1 .]" 1
871 1 112 LEU MD1 1 116 LEU MD1 . . 3.720 3.242 2.807 3.734 0.014 13 0 "[ . 1 .]" 1
872 1 112 LEU HG 1 113 LYS HA . . 3.810 3.833 3.591 3.929 0.119 3 0 "[ . 1 .]" 1
873 1 113 LYS H 1 113 LYS QB . . 3.140 2.275 2.026 2.492 . 0 0 "[ . 1 .]" 1
874 1 113 LYS H 1 113 LYS QD . . 3.600 3.705 3.614 3.797 0.197 13 0 "[ . 1 .]" 1
875 1 113 LYS H 1 114 LYS H . . 3.520 2.983 2.769 3.173 . 0 0 "[ . 1 .]" 1
876 1 113 LYS HA 1 116 LEU H . . 3.860 3.483 3.273 3.863 0.003 3 0 "[ . 1 .]" 1
877 1 114 LYS H 1 114 LYS HB2 . . 3.270 2.312 2.100 3.324 0.054 13 0 "[ . 1 .]" 1
878 1 114 LYS H 1 114 LYS QB . . 2.820 2.245 2.079 2.954 0.134 13 0 "[ . 1 .]" 1
879 1 114 LYS H 1 114 LYS HB3 . . 3.270 3.195 2.861 3.499 0.229 6 0 "[ . 1 .]" 1
880 1 114 LYS H 1 114 LYS QD . . 3.620 3.568 2.943 3.692 0.072 1 0 "[ . 1 .]" 1
881 1 114 LYS H 1 114 LYS QG . . 4.000 3.141 1.802 4.048 0.048 3 0 "[ . 1 .]" 1
882 1 114 LYS H 1 115 ARG H . . 3.390 2.762 2.609 2.875 . 0 0 "[ . 1 .]" 1
883 1 114 LYS HA 1 117 GLU H . . 3.440 3.515 3.417 3.588 0.148 4 0 "[ . 1 .]" 1
884 1 114 LYS QG 1 115 ARG H . . 4.270 4.107 2.822 4.321 0.051 2 0 "[ . 1 .]" 1
885 1 115 ARG H 1 115 ARG HB2 . . 3.310 2.482 2.179 2.655 . 0 0 "[ . 1 .]" 1
886 1 115 ARG H 1 115 ARG HB3 . . 3.310 2.551 2.406 2.986 . 0 0 "[ . 1 .]" 1
887 1 115 ARG H 1 115 ARG QG . . 4.000 3.994 3.796 4.044 0.044 4 0 "[ . 1 .]" 1
888 1 115 ARG H 1 116 LEU H . . 3.530 2.768 2.600 2.943 . 0 0 "[ . 1 .]" 1
889 1 115 ARG HA 1 118 LYS H . . 3.970 3.642 3.379 3.846 . 0 0 "[ . 1 .]" 1
890 1 116 LEU H 1 116 LEU QB . . 3.280 2.097 2.067 2.157 . 0 0 "[ . 1 .]" 1
891 1 116 LEU H 1 116 LEU MD1 . . 3.950 3.690 3.539 3.921 . 0 0 "[ . 1 .]" 1
892 1 116 LEU H 1 116 LEU MD2 . . 4.060 4.111 3.999 4.180 0.120 2 0 "[ . 1 .]" 1
893 1 116 LEU H 1 117 GLU H . . 3.490 2.848 2.744 2.961 . 0 0 "[ . 1 .]" 1
894 1 116 LEU HA 1 116 LEU MD1 . . 3.470 2.028 1.992 2.066 . 0 0 "[ . 1 .]" 1
895 1 116 LEU HA 1 116 LEU MD2 . . 3.680 3.755 3.716 3.802 0.122 13 0 "[ . 1 .]" 1
896 1 116 LEU HA 1 119 LEU H . . 4.290 3.417 3.348 3.558 . 0 0 "[ . 1 .]" 1
897 1 116 LEU HA 1 119 LEU QB . . 4.000 3.848 3.584 4.000 . 0 0 "[ . 1 .]" 1
898 1 116 LEU HA 1 119 LEU MD1 . . 3.690 2.803 2.471 3.135 . 0 0 "[ . 1 .]" 1
899 1 116 LEU HA 1 119 LEU MD2 . . 4.390 3.252 3.104 3.441 . 0 0 "[ . 1 .]" 1
900 1 116 LEU MD1 1 117 GLU H . . 4.600 4.710 4.674 4.740 0.140 8 0 "[ . 1 .]" 1
901 1 116 LEU MD1 1 119 LEU H . . 4.680 4.675 4.520 4.734 0.054 5 0 "[ . 1 .]" 1
902 1 116 LEU MD2 1 117 GLU H . . 4.800 4.251 4.036 4.347 . 0 0 "[ . 1 .]" 1
903 1 116 LEU HG 1 117 GLU H . . 4.150 4.167 3.860 4.254 0.104 14 0 "[ . 1 .]" 1
904 1 117 GLU H 1 117 GLU QG . . 3.670 2.648 2.237 3.799 0.129 6 0 "[ . 1 .]" 1
905 1 117 GLU H 1 118 LYS H . . 3.420 2.881 2.776 2.966 . 0 0 "[ . 1 .]" 1
906 1 117 GLU HA 1 120 GLU H . . 4.690 4.581 4.136 4.772 0.082 11 0 "[ . 1 .]" 1
907 1 118 LYS H 1 118 LYS HB2 . . 3.500 2.359 2.175 2.450 . 0 0 "[ . 1 .]" 1
908 1 118 LYS H 1 118 LYS QB . . 3.000 2.328 2.153 2.413 . 0 0 "[ . 1 .]" 1
909 1 118 LYS H 1 118 LYS HB3 . . 3.500 3.579 3.465 3.631 0.131 4 0 "[ . 1 .]" 1
910 1 118 LYS H 1 118 LYS QD . . 4.020 3.818 2.425 4.039 0.019 10 0 "[ . 1 .]" 1
911 1 118 LYS H 1 118 LYS HG2 . . 3.990 2.914 2.198 4.071 0.081 2 0 "[ . 1 .]" 1
912 1 118 LYS H 1 118 LYS QG . . 3.370 2.753 2.178 3.501 0.131 2 0 "[ . 1 .]" 1
913 1 118 LYS H 1 118 LYS HG3 . . 3.990 3.843 2.881 4.046 0.056 7 0 "[ . 1 .]" 1
914 1 118 LYS HA 1 118 LYS QG . . 3.030 2.861 2.241 3.040 0.010 4 0 "[ . 1 .]" 1
915 1 118 LYS HA 1 121 ASP H . . 4.780 4.429 2.949 4.837 0.057 13 0 "[ . 1 .]" 1
916 1 118 LYS HB2 1 119 LEU H . . 4.200 3.639 3.481 3.857 . 0 0 "[ . 1 .]" 1
917 1 118 LYS HB3 1 119 LEU H . . 4.200 4.242 4.066 4.347 0.147 1 0 "[ . 1 .]" 1
918 1 119 LEU H 1 119 LEU QB . . 2.920 2.508 2.460 2.561 . 0 0 "[ . 1 .]" 1
919 1 119 LEU H 1 119 LEU MD1 . . 3.770 3.736 3.645 3.824 0.054 8 0 "[ . 1 .]" 1
920 1 119 LEU H 1 119 LEU MD2 . . 4.190 3.252 3.006 3.429 . 0 0 "[ . 1 .]" 1
921 1 119 LEU H 1 119 LEU HG . . 3.980 2.347 2.152 2.514 . 0 0 "[ . 1 .]" 1
922 1 119 LEU H 1 120 GLU H . . 3.700 2.700 2.592 2.799 . 0 0 "[ . 1 .]" 1
923 1 119 LEU HA 1 119 LEU MD1 . . 3.710 3.793 3.768 3.813 0.103 9 0 "[ . 1 .]" 1
924 1 119 LEU HA 1 119 LEU MD2 . . 2.870 2.182 2.116 2.259 . 0 0 "[ . 1 .]" 1
925 1 119 LEU QB 1 119 LEU MD1 . . 3.250 2.025 2.010 2.039 . 0 0 "[ . 1 .]" 1
926 1 119 LEU QB 1 120 GLU H . . 3.670 2.376 2.306 2.475 . 0 0 "[ . 1 .]" 1
927 1 119 LEU HB2 1 120 GLU H . . 4.320 2.419 2.349 2.526 . 0 0 "[ . 1 .]" 1
928 1 119 LEU HB3 1 120 GLU H . . 4.320 3.481 3.350 3.597 . 0 0 "[ . 1 .]" 1
929 1 119 LEU MD1 1 120 GLU H . . 4.280 4.349 4.302 4.414 0.134 2 0 "[ . 1 .]" 1
930 1 119 LEU MD2 1 120 GLU H . . 4.710 4.649 4.589 4.721 0.011 2 0 "[ . 1 .]" 1
931 1 120 GLU H 1 120 GLU QB . . 3.690 2.962 2.195 3.434 . 0 0 "[ . 1 .]" 1
932 1 120 GLU H 1 121 ASP H . . 4.430 3.858 2.034 4.365 . 0 0 "[ . 1 .]" 1
933 1 121 ASP H 1 121 ASP HB2 . . 4.010 2.897 2.288 3.631 . 0 0 "[ . 1 .]" 1
934 1 121 ASP H 1 121 ASP HB3 . . 4.010 2.862 2.401 3.638 . 0 0 "[ . 1 .]" 1
935 1 122 LYS H 1 122 LYS QG . . 4.650 3.483 2.207 4.336 . 0 0 "[ . 1 .]" 1
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